methyl 5-methyl-4-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(1-phenylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(1-phenylethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S2/c1-14(16-10-6-4-7-11-16)23-22(27)24-20-19(21(25)26-3)18(15(2)28-20)17-12-8-5-9-13-17/h4-14H,1-3H3,(H2,23,24,27)