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

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16Cl2N2O2S2 MolecularWeight: 403.34644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C16H16Cl2N2O2S2/c1-3-10-7-11(15(21)22-2)14(24-10)20-16(23)19-8-9-4-5-12(17)13(18)6-9/h4-7H,3,8H2,1-2H3,(H2,19,20,23)