2-[2-(1,4-diphenylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,4-diphenylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-(1,4-diphenylbutylamino)-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-(1,4-diphenylbutylamino)-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,4-diphenylbutylamino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[[2-(1,4-diphenylbutylamino)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC(CCCC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC(CCCC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C27H31N3O2S/c1-18-19(2)25(26(28)32)27(29-20(18)3)33-17-24(31)30-23(22-14-8-5-9-15-22)16-10-13-21-11-6-4-7-12-21/h4-9,11-12,14-15,23H,10,13,16-17H2,1-3H3,(H2,28,32)(H,30,31)