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

Systemtic Name: ethyl 2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-4-methylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O2S2 MolecularWeight: 444.99734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H21ClN2O2S2/c1-4-27-21(26)19-18(15-8-6-5-7-9-15)14(3)29-20(19)25-22(28)24-16-11-10-13(2)17(23)12-16/h5-12H,4H2,1-3H3,(H2,24,25,28)