N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-piperonyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=O

InChI

InChI=1S/C18H16N2O4S/c21-17-5-6-25-16-4-2-12(8-13(16)20-17)18(22)19-9-11-1-3-14-15(7-11)24-10-23-14/h1-4,7-8H,5-6,9-10H2,(H,19,22)(H,20,21)