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

Systemtic Name: ethyl 2-[(4-acetamidophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-acetamidophenyl)carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetamidophenyl)carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[(4-acetamidophenyl)thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S2/c1-3-29-22(28)20-14-19(13-16-7-5-4-6-8-16)31-21(20)26-23(30)25-18-11-9-17(10-12-18)24-15(2)27/h4-12,14H,3,13H2,1-2H3,(H,24,27)(H2,25,26,30)