N-[4-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-propan-2-yl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-propan-2-yl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[2-(1,4-diazepan-1-yl)-1-methyl-2-oxo-ethyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[2-(1,4-diazepan-1-yl)-2-keto-1-methyl-ethyl]phenyl]-2-(phenylthio)nicotinamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)N4CCCNCC4

InChI

InChI=1S/C26H28N4O2S/c1-19(26(32)30-17-6-14-27-16-18-30)20-10-12-21(13-11-20)29-24(31)23-9-5-15-28-25(23)33-22-7-3-2-4-8-22/h2-5,7-13,15,19,27H,6,14,16-18H2,1H3,(H,29,31)