5-[(3-chlorophenyl)methyl]-3-(4-cyclohexylpiperazin-1-yl)carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(3-chlorophenyl)methyl]-3-(4-cyclohexylpiperazin-1-yl)carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(3-chlorophenyl)methyl]-3-(4-cyclohexylpiperazine-1-carbonyl)-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(3-chlorophenyl)methyl]-3-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(3-chlorophenyl)methyl]-3-(4-cyclohexylpiperazine-1-carbonyl)-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(3-chlorobenzyl)-3-(4-cyclohexylpiperazine-1-carbonyl)-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C31H32ClN3O3S MolecularWeight: 562.12208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)S(=O)C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)S(=O)C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)Cl

InChI

InChI=1S/C31H32ClN3O3S/c32-24-8-6-7-22(19-24)21-35-27-20-23(13-14-29(27)39(38)28-12-5-4-11-26(28)31(35)37)30(36)34-17-15-33(16-18-34)25-9-2-1-3-10-25/h4-8,11-14,19-20,25H,1-3,9-10,15-18,21H2