2-[4-[4-(4-chlorophenyl)piperidin-1-yl]butyl]-1,4-benzothiazepine-3,5-dione

Systemtic Name: 2-[4-[4-(4-chlorophenyl)piperidin-1-yl]butyl]-1,4-benzothiazepine-3,5-dione Openeye Name: 2-[4-[4-(4-chlorophenyl)-1-piperidyl]butyl]-1,4-benzothiazepine-3,5-dione CAS Name: 2-[4-[4-(4-chlorophenyl)-1-piperidinyl]butyl]-1,4-benzothiazepine-3,5-dione IUPAC Name: 2-[4-[4-(4-chlorophenyl)piperidin-1-yl]butyl]-1,4-benzothiazepine-3,5-dione Traditional Name: 2-[4-[4-(4-chlorophenyl)piperidino]butyl]-1,4-benzothiazepine-3,5-quinone Formula: C24H27ClN2O2S MolecularWeight: 443.00138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=C(C=C2)Cl)CCCCC3C(=O)NC(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C2=CC=C(C=C2)Cl)CCCCC3C(=O)NC(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C24H27ClN2O2S/c25-19-10-8-17(9-11-19)18-12-15-27(16-13-18)14-4-3-7-22-24(29)26-23(28)20-5-1-2-6-21(20)30-22/h1-2,5-6,8-11,18,22H,3-4,7,12-16H2,(H,26,28,29)