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

Systemtic Name: ethyl 2-[(4-methylphenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(p-tolylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylbenzyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S2/c1-3-26-21(25)18-13-19(17-7-5-4-6-8-17)28-20(18)24-22(27)23-14-16-11-9-15(2)10-12-16/h4-13H,3,14H2,1-2H3,(H2,23,24,27)