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

Systemtic Name: methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)-4-methylthiophene-2-carboxylate Traditional Name: 3-(3-imidazol-1-ylpropylthiocarbamoylamino)-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)NCCCN2C=CN=C2)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)NCCCN2C=CN=C2)C(=O)OC

InChI

InChI=1S/C14H18N4O2S2/c1-10-8-22-12(13(19)20-2)11(10)17-14(21)16-4-3-6-18-7-5-15-9-18/h5,7-9H,3-4,6H2,1-2H3,(H2,16,17,21)