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

Systemtic Name: ethyl 2-[(4-methylphenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(p-tolylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-methylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H24N2O2S2/c1-3-27-22(26)20-14-19(13-17-7-5-4-6-8-17)29-21(20)25-23(28)24-15-18-11-9-16(2)10-12-18/h4-12,14H,3,13,15H2,1-2H3,(H2,24,25,28)