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

Systemtic Name: methyl 2-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21ClN2O4S2 MolecularWeight: 476.99614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O4S2/c1-12-18(13-8-6-5-7-9-13)19(21(26)29-4)20(31-12)25-22(30)24-15-10-14(23)16(27-2)11-17(15)28-3/h5-11H,1-4H3,(H2,24,25,30)