methyl 2-[(3-azanyl-4-chloranyl-phenyl)carbonylamino]-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-azanyl-4-chloranyl-phenyl)carbonylamino]-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 2-[(3-amino-4-chloro-benzoyl)amino]-4-methyl-5-(p-tolylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(3-amino-4-chlorophenyl)-oxomethyl]amino]-4-methyl-5-[(4-methylanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-amino-4-chlorobenzoyl)amino]-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-[(3-amino-4-chloro-benzoyl)amino]-4-methyl-5-(p-tolylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)N)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)N)C(=O)OC)C

InChI

InChI=1S/C22H20ClN3O4S/c1-11-4-7-14(8-5-11)25-20(28)18-12(2)17(22(29)30-3)21(31-18)26-19(27)13-6-9-15(23)16(24)10-13/h4-10H,24H2,1-3H3,(H,25,28)(H,26,27)