methyl 2-[4-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(3-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=CC(=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)CC(=O)OC

Isomeric SMILES

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

InChI

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