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

Systemtic Name: ethyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(4-chlorophenyl)thiocarbamoylamino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN4O2S3 MolecularWeight: 505.07574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O2S3/c1-2-29-20(28)18-13-17(12-14-6-4-3-5-7-14)32-19(18)25-22(31)27-26-21(30)24-16-10-8-15(23)9-11-16/h3-11,13H,2,12H2,1H3,(H2,24,26,30)(H2,25,27,31)