ethyl 4-[[4-[(S)-(4-ethoxyphenyl)-oxidanyl-methyl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(S)-(4-ethoxyphenyl)-oxidanyl-methyl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(S)-(4-ethoxyphenyl)-hydroxy-methyl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(S)-(4-ethoxyphenyl)-hydroxymethyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(S)-(4-ethoxyphenyl)-hydroxymethyl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[(S)-hydroxy(p-phenetyl)methyl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C24H30N2O4S/c1-3-29-21-11-7-17(8-12-21)22(27)18-13-15-26(16-14-18)24(31)25-20-9-5-19(6-10-20)23(28)30-4-2/h5-12,18,22,27H,3-4,13-16H2,1-2H3,(H,25,31)/t22-/m1/s1