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

Systemtic Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxyphenyl)methylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(p-anisylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N2O3S2/c1-5-23-17(21)15-11(2)12(3)25-16(15)20-18(24)19-10-13-6-8-14(22-4)9-7-13/h6-9H,5,10H2,1-4H3,(H2,19,20,24)