methyl 2-[(3-methoxyphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methoxyphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-methoxyphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-methoxyphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O3S2/c1-24-15-10-6-9-14(11-15)21-20(26)22-18-16(19(23)25-2)12-17(27-18)13-7-4-3-5-8-13/h3-12H,1-2H3,(H2,21,22,26)