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

Systemtic Name: methyl 2-[(2-ethanoylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-acetylphenyl)carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(2-acetylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-acetylphenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[(2-acetylphenyl)thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20N2O3S2/c1-14(25)17-10-6-7-11-19(17)23-22(28)24-20-18(21(26)27-2)13-16(29-20)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H2,23,24,28)