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

Systemtic Name: ethyl 4-[[4-[(4-methoxyphenyl)amino]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-methoxyanilino)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-methoxyanilino)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methoxyanilino)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(p-anisidino)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3S/c1-3-28-21(26)16-4-6-18(7-5-16)24-22(29)25-14-12-19(13-15-25)23-17-8-10-20(27-2)11-9-17/h4-11,19,23H,3,12-15H2,1-2H3,(H,24,29)