5-[(3-chlorophenyl)methyl]-6-oxidanylidene-N-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(3-chlorophenyl)methyl]-6-oxidanylidene-N-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-allyl-5-[(3-chlorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-6-oxo-N-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-6-oxo-N-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-allyl-5-(3-chlorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H19ClN2O2S MolecularWeight: 434.93786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

Isomeric SMILES

C=CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H19ClN2O2S/c1-2-12-26-23(28)17-10-11-22-20(14-17)27(15-16-6-5-7-18(25)13-16)24(29)19-8-3-4-9-21(19)30-22/h2-11,13-14H,1,12,15H2,(H,26,28)