N-[4-(azepan-1-yl)phenyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C24H31N3O2S/c1-18(2)25-23(28)17-30-22-10-6-5-9-21(22)24(29)26-19-11-13-20(14-12-19)27-15-7-3-4-8-16-27/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,25,28)(H,26,29)