ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-ethyl-6-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C24H26N2O2S2/c1-4-18-13-9-10-16(3)21(18)25-24(29)26-22-20(23(27)28-5-2)15-19(30-22)14-17-11-7-6-8-12-17/h6-13,15H,4-5,14H2,1-3H3,(H2,25,26,29)