methyl 4-[[4-(4-methoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(4-methoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-25-18-9-7-17(8-10-18)22-11-13-23(14-12-22)20(27)21-16-5-3-15(4-6-16)19(24)26-2/h3-10H,11-14H2,1-2H3,(H,21,27)