1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,3-bis(1-phenylpropyl)piperidine-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,3-bis(1-phenylpropyl)piperidine-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3,3-bis(1-phenylpropyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3,3-bis(1-phenylpropyl)-2-piperidinecarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3,3-bis(1-phenylpropyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-3,3-bis(1-phenylpropyl)thiopipecolinate Formula: C31H40NO3S- MolecularWeight: 506.7192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C1=CC=CC=C1)C2(CCCN(C2C(=S)[O-])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)/p-1