N-[3-[butyl(methyl)amino]propyl]-5-[(3-chlorophenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-[butyl(methyl)amino]propyl]-5-[(3-chlorophenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-[butyl(methyl)amino]propyl]-5-[(3-chlorophenyl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-[butyl(methyl)amino]propyl]-5-[(3-chlorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-[butyl(methyl)amino]propyl]-5-[(3-chlorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-[butyl(methyl)amino]propyl]-5-(3-chlorobenzyl)-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H32ClN3O3S MolecularWeight: 538.10068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN(C)CCCNC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C29H32ClN3O3S/c1-3-4-16-32(2)17-8-15-31-28(34)22-13-14-27-25(19-22)33(20-21-9-7-10-23(30)18-21)29(35)24-11-5-6-12-26(24)37(27)36/h5-7,9-14,18-19H,3-4,8,15-17,20H2,1-2H3,(H,31,34)