N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]acetamide Traditional Name: 2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-piperonyl-acetamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4S/c23-19(21-10-13-5-7-16-17(9-13)26-12-25-16)11-27-18-8-6-14-3-1-2-4-15(14)22-20(18)24/h1-5,7,9,18H,6,8,10-12H2,(H,21,23)(H,22,24)