ethyl 3-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(3-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(=CC=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

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