methyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H19Cl2N3O2S2 MolecularWeight: 444.39836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C18H19Cl2N3O2S2/c1-11-9-13(17(24)25-2)16(27-11)21-18(26)23-7-5-22(6-8-23)12-3-4-14(19)15(20)10-12/h3-4,9-10H,5-8H2,1-2H3,(H,21,26)