ethyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3,4-dimethylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3,4-dimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3,4-dimethylphenyl)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)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H24N2O2S2/c1-4-27-22(26)20-14-19(13-17-8-6-5-7-9-17)29-21(20)25-23(28)24-18-11-10-15(2)16(3)12-18/h5-12,14H,4,13H2,1-3H3,(H2,24,25,28)