methyl 2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-carbethoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O4S2/c1-3-29-21(26)16-10-7-11-17(13-16)24-23(30)25-20-19(22(27)28-2)14-18(31-20)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H2,24,25,30)