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

Systemtic Name: 3-[[2-(cyanomethyl)phenyl]carbamothioyl]-1,1-di(propan-2-yl)thiourea Openeye Name: 3-[[2-(cyanomethyl)phenyl]carbamothioyl]-1,1-diisopropyl-thiourea CAS Name: 3-[[2-(cyanomethyl)anilino]-sulfanylidenemethyl]-1,1-di(propan-2-yl)thiourea IUPAC Name: 3-[[2-(cyanomethyl)phenyl]carbamothioyl]-1,1-di(propan-2-yl)thiourea Traditional Name: 3-[[2-(cyanomethyl)phenyl]thiocarbamoyl]-1,1-diisopropyl-thiourea Formula: C16H22N4S2 MolecularWeight: 334.50268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=S)NC(=S)NC1=CC=CC=C1CC#N

Isomeric SMILES

CC(C)N(C(C)C)C(=S)NC(=S)NC1=CC=CC=C1CC#N

InChI

InChI=1S/C16H22N4S2/c1-11(2)20(12(3)4)16(22)19-15(21)18-14-8-6-5-7-13(14)9-10-17/h5-8,11-12H,9H2,1-4H3,(H2,18,19,21,22)