N-[3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[cyclohexyl-(3,6-dichlorobenzothiophene-2-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[cyclohexyl-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[cyclohexyl-(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[cyclohexyl-(3,6-dichlorobenzothiophene-2-carbonyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H26Cl2N4O3S MolecularWeight: 557.49134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H26Cl2N4O3S/c28-16-11-12-19-21(15-16)37-23(22(19)29)27(36)33(17-7-2-1-3-8-17)14-6-13-30-26(35)24-31-20-10-5-4-9-18(20)25(34)32-24/h4-5,9-12,15,17H,1-3,6-8,13-14H2,(H,30,35)(H,31,32,34)