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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC2=CC=C(C=C2)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=CC=C(C=C2)OC)C(=O)OC)C3=CC=CC=C3

InChI

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