5-phenyl-4-[[1-(phenylmethyl)piperidin-4-yl]carbamoylamino]pentanethioic S-acid

Systemtic Name: 5-phenyl-4-[[1-(phenylmethyl)piperidin-4-yl]carbamoylamino]pentanethioic S-acid Openeye Name: 4-[(1-benzyl-4-piperidyl)carbamoylamino]-5-phenyl-pentanethioic S-acid CAS Name: 4-[[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]amino]-5-phenylpentanethioic S-acid IUPAC Name: 4-[(1-benzylpiperidin-4-yl)carbamoylamino]-5-phenylpentanethioic S-acid Traditional Name: 4-[(1-benzyl-4-piperidyl)carbamoylamino]-5-phenyl-thiovaleric acid Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)NC(CCC(=O)S)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)NC(CCC(=O)S)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c28-23(30)12-11-22(17-19-7-3-1-4-8-19)26-24(29)25-21-13-15-27(16-14-21)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H,28,30)(H2,25,26,29)