N-[(4-ethylphenyl)methyl]-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-6,8-dimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-ethylbenzyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)C)C(=N3)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)C)C(=N3)C

InChI

InChI=1S/C25H24N2OS/c1-4-18-6-8-19(9-7-18)15-26-25(28)20-10-12-24-22(14-20)27-17(3)21-13-16(2)5-11-23(21)29-24/h5-14H,4,15H2,1-3H3,(H,26,28)