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

Systemtic Name: methyl 2-[4-[[4-(4-methoxyphenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)CC(=O)OC

InChI

InChI=1S/C21H25N3O3S/c1-26-19-9-7-18(8-10-19)23-11-13-24(14-12-23)21(28)22-17-5-3-16(4-6-17)15-20(25)27-2/h3-10H,11-15H2,1-2H3,(H,22,28)