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

Systemtic Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-(p-anisylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-3-27-21(25)18-13-19(16-7-5-4-6-8-16)29-20(18)24-22(28)23-14-15-9-11-17(26-2)12-10-15/h4-13H,3,14H2,1-2H3,(H2,23,24,28)