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

Systemtic Name: N-[(2-chlorophenyl)methyl]-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-[(2-chlorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-(2-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=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=CC=CC=C4C1=O

InChI

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