N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]cyclohexanecarboxamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C18H23N3OS/c19-12-7-13-21(14-15-8-3-1-4-9-15)18(23)20-17(22)16-10-5-2-6-11-16/h1,3-4,8-9,16H,2,5-7,10-11,13-14H2,(H,20,22,23)