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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-25(2)22(27)17-29-21-10-6-5-9-20(21)23(28)24-18-11-13-19(14-12-18)26-15-7-3-4-8-16-26/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,24,28)