2-(1,3-benzodioxol-4-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-4-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-4-yl)-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-4-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-4-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-4-yl)-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine Formula: C23H19NO2S MolecularWeight: 373.46746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=C5C(=CC=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C23H19NO2S/c1-15-9-11-16(12-10-15)19-13-22(27-21-8-3-2-6-18(21)24-19)17-5-4-7-20-23(17)26-14-25-20/h2-12,22H,13-14H2,1H3