N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,8-dimethyl-N-piperonyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=C2C

InChI

InChI=1S/C24H20N2O3S/c1-14-3-7-22-18(9-14)15(2)26-19-11-17(5-8-23(19)30-22)24(27)25-12-16-4-6-20-21(10-16)29-13-28-20/h3-11H,12-13H2,1-2H3,(H,25,27)