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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

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