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

Systemtic Name: ethyl 4-[[4-[(3-methoxyphenyl)amino]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(3-methoxyanilino)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(3-methoxyanilino)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methoxyanilino)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(m-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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