methyl N-[(2-azanyl-4-thiocyanato-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-azanyl-4-thiocyanato-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-4-thiocyanato-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-amino-4-thiocyanatoanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-4-thiocyanatophenyl)carbamothioyl]carbamate Traditional Name: N-[(2-amino-4-thiocyanato-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C10H10N4O2S2 MolecularWeight: 282.342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)N

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC#N)N

InChI

InChI=1S/C10H10N4O2S2/c1-16-10(15)14-9(17)13-8-3-2-6(18-5-11)4-7(8)12/h2-4H,12H2,1H3,(H2,13,14,15,17)