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

Systemtic Name: ethyl 2-[(3-methylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(m-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3-methylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(m-tolylthiocarbamoylamino)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)CC2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

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

InChI

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