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

Systemtic Name: methyl 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H20ClN3O2S2 MolecularWeight: 409.9533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H20ClN3O2S2/c1-12-3-4-13(19)11-15(12)21-6-8-22(9-7-21)18(25)20-14-5-10-26-16(14)17(23)24-2/h3-5,10-11H,6-9H2,1-2H3,(H,20,25)