N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-16(2)18-9-11-19(12-10-18)20(25)23-21(26)24(14-6-13-22)15-17-7-4-3-5-8-17/h3-5,7-12,16H,6,14-15H2,1-2H3,(H,23,25,26)