methyl 2-[4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-15-3-6-17(22)14-19(15)24-9-11-25(12-10-24)21(28)23-18-7-4-16(5-8-18)13-20(26)27-2/h3-8,14H,9-13H2,1-2H3,(H,23,28)