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

Systemtic Name: methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-imidazol-1-ylpropylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCCCN2C=CN=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCCCN2C=CN=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S2/c1-14-16(15-7-4-3-5-8-15)17(19(25)26-2)18(28-14)23-20(27)22-9-6-11-24-12-10-21-13-24/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H2,22,23,27)