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

Systemtic Name: methyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H26ClN3O2S2 MolecularWeight: 500.07584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H26ClN3O2S2/c1-17-8-9-19(26)15-22(17)28-10-12-29(13-11-28)25(32)27-23-21(24(30)31-2)16-20(33-23)14-18-6-4-3-5-7-18/h3-9,15-16H,10-14H2,1-2H3,(H,27,32)