3-[[2-(cyanomethylsulfanyl)phenyl]carbamothioyl]-1,1-di(propan-2-yl)thiourea

Systemtic Name: 3-[[2-(cyanomethylsulfanyl)phenyl]carbamothioyl]-1,1-di(propan-2-yl)thiourea Openeye Name: 3-[[2-(cyanomethylsulfanyl)phenyl]carbamothioyl]-1,1-diisopropyl-thiourea CAS Name: 3-[[2-(cyanomethylthio)anilino]-sulfanylidenemethyl]-1,1-di(propan-2-yl)thiourea IUPAC Name: 3-[[2-(cyanomethylsulfanyl)phenyl]carbamothioyl]-1,1-di(propan-2-yl)thiourea Traditional Name: 3-[[2-(cyanomethylthio)phenyl]thiocarbamoyl]-1,1-diisopropyl-thiourea Formula: C16H22N4S3 MolecularWeight: 366.56768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=S)NC(=S)NC1=CC=CC=C1SCC#N

Isomeric SMILES

CC(C)N(C(C)C)C(=S)NC(=S)NC1=CC=CC=C1SCC#N

InChI

InChI=1S/C16H22N4S3/c1-11(2)20(12(3)4)16(22)19-15(21)18-13-7-5-6-8-14(13)23-10-9-17/h5-8,11-12H,10H2,1-4H3,(H2,18,19,21,22)