4-tert-butyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-tert-butyl-benzamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3OS/c1-22(2,3)19-12-10-18(11-13-19)20(26)24-21(27)25(15-7-14-23)16-17-8-5-4-6-9-17/h4-6,8-13H,7,15-16H2,1-3H3,(H,24,26,27)