ethyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-(veratrylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4S2/c1-4-29-22(26)17-13-20(16-8-6-5-7-9-16)31-21(17)25-23(30)24-14-15-10-11-18(27-2)19(12-15)28-3/h5-13H,4,14H2,1-3H3,(H2,24,25,30)