3-[3,5-bis(bromanyl)-1-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-4-(1-methylpiperidin-4-yl)-2-(oxidanylidenemethylidene)piperidin-4-yl]-5-thiophen-3-yl-1H-imidazol-2-one

Systemtic Name: 3-[3,5-bis(bromanyl)-1-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-4-(1-methylpiperidin-4-yl)-2-(oxidanylidenemethylidene)piperidin-4-yl]-5-thiophen-3-yl-1H-imidazol-2-one Openeye Name: 3-[3,5-dibromo-1-[3-(4-hydroxyphenyl)-2-(1-piperidylamino)propanoyl]-4-(1-methyl-4-piperidyl)-2-(oxomethylene)-4-piperidyl]-5-(3-thienyl)-1H-imidazol-2-one CAS Name: 3-[3,5-dibromo-1-[3-(4-hydroxyphenyl)-1-oxo-2-(1-piperidinylamino)propyl]-4-(1-methyl-4-piperidinyl)-2-(oxomethylidene)-4-piperidinyl]-5-(3-thiophenyl)-1H-imidazol-2-one IUPAC Name: 3-[3,5-dibromo-1-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-4-(1-methylpiperidin-4-yl)-2-(oxomethylidene)piperidin-4-yl]-5-thiophen-3-yl-1H-imidazol-2-one Traditional Name: 1-[3,5-dibromo-1-[3-(4-hydroxyphenyl)-2-(piperidinoamino)propanoyl]-2-(ketomethylene)-4-(1-methyl-4-piperidyl)-4-piperidyl]-4-(3-thienyl)-4-imidazolin-2-one Formula: C33H40Br2N6O4S MolecularWeight: 776.5815

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2(C(CN(C(=C=O)C2Br)C(=O)C(CC3=CC=C(C=C3)O)NN4CCCCC4)Br)N5C=C(NC5=O)C6=CSC=C6

Isomeric SMILES

CN1CCC(CC1)C2(C(CN(C(=C=O)C2Br)C(=O)C(CC3=CC=C(C=C3)O)NN4CCCCC4)Br)N5C=C(NC5=O)C6=CSC=C6

InChI

InChI=1S/C33H40Br2N6O4S/c1-38-14-9-24(10-15-38)33(41-18-27(36-32(41)45)23-11-16-46-21-23)29(34)19-40(28(20-42)30(33)35)31(44)26(37-39-12-3-2-4-13-39)17-22-5-7-25(43)8-6-22/h5-8,11,16,18,21,24,26,29-30,37,43H,2-4,9-10,12-15,17,19H2,1H3,(H,36,45)