methyl 2-(butan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(butan-2-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(sec-butylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butan-2-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-(sec-butylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC(C)NC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

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