1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,3-bis(1-phenylpropyl)piperidine-2-carbothioic S-acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,3-bis(1-phenylpropyl)piperidine-2-carbothioic S-acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3,3-bis(1-phenylpropyl)piperidine-2-carbothioic S-acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3,3-bis(1-phenylpropyl)-2-piperidinecarbothioic S-acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3,3-bis(1-phenylpropyl)piperidine-2-carbothioic S-acid Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-3,3-bis(1-phenylpropyl)thiopipecolinic acid Formula: C31H41NO3S MolecularWeight: 507.72714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2(CCCN(C2C(=O)S)C(=O)C(=O)C(C)(C)CC)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1)C2(CCCN(C2C(=O)S)C(=O)C(=O)C(C)(C)CC)C(CC)C3=CC=CC=C3

InChI

InChI=1S/C31H41NO3S/c1-6-24(22-16-11-9-12-17-22)31(25(7-2)23-18-13-10-14-19-23)20-15-21-32(26(31)29(35)36)28(34)27(33)30(4,5)8-3/h9-14,16-19,24-26H,6-8,15,20-21H2,1-5H3,(H,35,36)