methyl 5-methyl-4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S2/c1-13-16(14-9-5-3-6-10-14)17(19(23)24-2)18(26-13)22-20(25)21-15-11-7-4-8-12-15/h3-12H,1-2H3,(H2,21,22,25)