methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thiocarbamoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C19H18N2O2S3 MolecularWeight: 402.55342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C19H18N2O2S3/c1-11-6-7-12(2)14(9-11)20-19(24)21-17-16(18(22)23-3)13(10-26-17)15-5-4-8-25-15/h4-10H,1-3H3,(H2,20,21,24)