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

Systemtic Name: ethyl 4-[[4-(4-methoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O3S/c1-3-27-20(25)16-4-6-17(7-5-16)22-21(28)24-14-12-23(13-15-24)18-8-10-19(26-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H,22,28)