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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-N-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-allyl-5-[(2,5-dimethylphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2,5-dimethylphenyl)methyl]-6-oxo-N-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-6-oxo-N-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-allyl-5-(2,5-dimethylbenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NCC=C)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NCC=C)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C26H24N2O2S/c1-4-13-27-25(29)19-11-12-24-22(15-19)28(16-20-14-17(2)9-10-18(20)3)26(30)21-7-5-6-8-23(21)31-24/h4-12,14-15H,1,13,16H2,2-3H3,(H,27,29)