methyl 5-methyl-4-phenyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[2-(phenylthio)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[2-(phenylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H22N2O2S3 MolecularWeight: 490.66008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S3/c1-17-22(18-11-5-3-6-12-18)23(25(29)30-2)24(32-17)28-26(31)27-20-15-9-10-16-21(20)33-19-13-7-4-8-14-19/h3-16H,1-2H3,(H2,27,28,31)