ethyl 2-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoylamino]-5-phenyl-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)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N(C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S2/c1-4-29-22(28)19-14-20(16-8-6-5-7-9-16)31-21(19)25-23(30)24-17-10-12-18(13-11-17)26(3)15(2)27/h5-14H,4H2,1-3H3,(H2,24,25,30)