4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: N-cyclohexyl-5-keto-3-methyl-4-piperonyl-2H-1,4-benzothiazepine-3-carboxamide Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4)C(=O)NC5CCCCC5

InChI

InChI=1S/C25H28N2O4S/c1-25(24(29)26-18-7-3-2-4-8-18)15-32-22-10-6-5-9-19(22)23(28)27(25)14-17-11-12-20-21(13-17)31-16-30-20/h5-6,9-13,18H,2-4,7-8,14-16H2,1H3,(H,26,29)