[4-[(2-propan-2-ylphenyl)carbamothioylamino]phenyl] thiocyanate

Systemtic Name: [4-[(2-propan-2-ylphenyl)carbamothioylamino]phenyl] thiocyanate Openeye Name: [4-[(2-isopropylphenyl)carbamothioylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [4-[(2-propan-2-ylphenyl)carbamothioylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(o-cumenylthiocarbamoylamino)phenyl] ester Formula: C17H17N3S2 MolecularWeight: 327.46698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C17H17N3S2/c1-12(2)15-5-3-4-6-16(15)20-17(21)19-13-7-9-14(10-8-13)22-11-18/h3-10,12H,1-2H3,(H2,19,20,21)