methyl 2-[(2-methylphenyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methylphenyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-(o-tolylcarbamothioylamino)-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[(2-methylanilino)-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylphenyl)carbamothioylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-(o-tolylthiocarbamoylamino)-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C18H16N2O2S3 MolecularWeight: 388.52684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C18H16N2O2S3/c1-11-6-3-4-7-13(11)19-18(23)20-16-15(17(21)22-2)12(10-25-16)14-8-5-9-24-14/h3-10H,1-2H3,(H2,19,20,23)