ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(p-anisylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H24N2O3S2/c1-4-28-22(26)20-19(17-8-6-5-7-9-17)15(2)30-21(20)25-23(29)24-14-16-10-12-18(27-3)13-11-16/h5-13H,4,14H2,1-3H3,(H2,24,25,29)