N-(2,6-dimethylphenyl)-2-[(phenylmethyl)carbamothioylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(phenylmethyl)carbamothioylamino]ethanamide Openeye Name: 2-(benzylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]acetamide IUPAC Name: 2-(benzylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-(benzylthiocarbamoylamino)-N-(2,6-dimethylphenyl)acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3OS/c1-13-7-6-8-14(2)17(13)21-16(22)12-20-18(23)19-11-15-9-4-3-5-10-15/h3-10H,11-12H2,1-2H3,(H,21,22)(H2,19,20,23)