5-phenyl-4-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pentanethioic S-acid

Systemtic Name: 5-phenyl-4-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pentanethioic S-acid Openeye Name: 4-[(4-benzylpiperazine-1-carbonyl)amino]-5-phenyl-pentanethioic S-acid CAS Name: 4-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-5-phenylpentanethioic S-acid IUPAC Name: 4-[(4-benzylpiperazine-1-carbonyl)amino]-5-phenylpentanethioic S-acid Traditional Name: 4-[(4-benzylpiperazine-1-carbonyl)amino]-5-phenyl-thiovaleric acid Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)NC(CCC(=O)S)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)NC(CCC(=O)S)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c27-22(29)12-11-21(17-19-7-3-1-4-8-19)24-23(28)26-15-13-25(14-16-26)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2,(H,24,28)(H,27,29)