N-(1,3-benzodioxol-5-ylmethyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,7,10-trimethyl-N-piperonyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)SC2=C(C=C1)C)C

InChI

InChI=1S/C25H22N2O3S/c1-14-4-5-15(2)24-23(14)16(3)27-19-11-18(7-9-22(19)31-24)25(28)26-12-17-6-8-20-21(10-17)30-13-29-20/h4-11H,12-13H2,1-3H3,(H,26,28)