[4-[(2,6-dimethylphenyl)carbamothioylamino]phenyl] thiocyanate

Systemtic Name: [4-[(2,6-dimethylphenyl)carbamothioylamino]phenyl] thiocyanate Openeye Name: [4-[(2,6-dimethylphenyl)carbamothioylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [4-[(2,6-dimethylphenyl)carbamothioylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(2,6-dimethylphenyl)thiocarbamoylamino]phenyl] ester Formula: C16H15N3S2 MolecularWeight: 313.4404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C16H15N3S2/c1-11-4-3-5-12(2)15(11)19-16(20)18-13-6-8-14(9-7-13)21-10-17/h3-9H,1-2H3,(H2,18,19,20)