methyl 5-methyl-4-phenyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(isopropylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isopropylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S2/c1-10(2)18-17(22)19-15-14(16(20)21-4)13(11(3)23-15)12-8-6-5-7-9-12/h5-10H,1-4H3,(H2,18,19,22)