methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18Cl2N2O2S2 MolecularWeight: 465.41582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H18Cl2N2O2S2/c1-12-17(14-6-4-3-5-7-14)18(20(26)27-2)19(29-12)25-21(28)24-11-13-8-9-15(22)16(23)10-13/h3-10H,11H2,1-2H3,(H2,24,25,28)