2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-4-phenyl-butanamide

Systemtic Name: 2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-4-phenyl-butanamide Openeye Name: 2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-4-phenyl-butanamide CAS Name: 2-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-4-phenylbutanamide IUPAC Name: 2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-4-phenylbutanamide Traditional Name: 2-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-4-phenyl-butyramide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NC(CCC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NC(CCC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C17H21N3OS/c18-16(21)15(12-11-13-7-3-1-4-8-13)20-17(22)19-14-9-5-2-6-10-14/h1,3-5,7-10,15H,2,6,11-12H2,(H2,18,21)(H2,19,20,22)