methyl 5-ethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[2-(phenylthio)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(phenylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S3 MolecularWeight: 428.5907

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O2S3/c1-3-14-13-16(20(24)25-2)19(28-14)23-21(26)22-17-11-7-8-12-18(17)27-15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H2,22,23,26)