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

Systemtic Name: methyl 4-[[4-(2-methoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

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