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

Systemtic Name: methyl 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC(=C(C=C2)OC)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC(=C(C=C2)OC)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O3S2/c1-12-17(13-7-5-4-6-8-13)18(20(25)27-3)19(29-12)24-21(28)23-14-9-10-16(26-2)15(22)11-14/h4-11H,1-3H3,(H2,23,24,28)