2-azanyl-1-[2-[(6-chloranyl-1-benzothiophen-2-yl)carbonyl]-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxidanyl-propan-1-one

Systemtic Name: 2-azanyl-1-[2-[(6-chloranyl-1-benzothiophen-2-yl)carbonyl]-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-oxidanyl-propan-1-one Openeye Name: 2-amino-1-[2-(6-chlorobenzothiophene-2-carbonyl)-4-(1-methyl-4-piperidyl)piperazin-1-yl]-3-hydroxy-propan-1-one CAS Name: 2-amino-1-[2-[(6-chloro-1-benzothiophen-2-yl)-oxomethyl]-4-(1-methyl-4-piperidinyl)-1-piperazinyl]-3-hydroxy-1-propanone IUPAC Name: 2-amino-1-[2-(6-chloro-1-benzothiophene-2-carbonyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one Traditional Name: 2-amino-1-[2-(6-chlorobenzothiophene-2-carbonyl)-4-(1-methyl-4-piperidyl)piperazino]-3-hydroxy-propan-1-one Formula: C22H29ClN4O3S MolecularWeight: 465.00866

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(C(C2)C(=O)C3=CC4=C(S3)C=C(C=C4)Cl)C(=O)C(CO)N

Isomeric SMILES

CN1CCC(CC1)N2CCN(C(C2)C(=O)C3=CC4=C(S3)C=C(C=C4)Cl)C(=O)C(CO)N

InChI

InChI=1S/C22H29ClN4O3S/c1-25-6-4-16(5-7-25)26-8-9-27(22(30)17(24)13-28)18(12-26)21(29)20-10-14-2-3-15(23)11-19(14)31-20/h2-3,10-11,16-18,28H,4-9,12-13,24H2,1H3