methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(4-chlorophenyl)thiocarbamoylamino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H19ClN4O2S3 MolecularWeight: 491.04916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN4O2S3/c1-28-19(27)17-12-16(11-13-5-3-2-4-6-13)31-18(17)24-21(30)26-25-20(29)23-15-9-7-14(22)8-10-15/h2-10,12H,11H2,1H3,(H2,23,25,29)(H2,24,26,30)