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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-thiocyanato-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-thiocyanatoanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-thiocyanatophenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-thiocyanato-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H13N5O4S3 MolecularWeight: 399.46842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O4S3/c1-21-12(19)17-10(23)15-8-4-3-7(25-6-14)5-9(8)16-11(24)18-13(20)22-2/h3-5H,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)