N-[4-(azepan-1-yl)phenyl]-2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[2-keto-2-(p-anisidino)ethyl]thio]acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C23H29N3O3S/c1-29-21-12-8-19(9-13-21)25-23(28)17-30-16-22(27)24-18-6-10-20(11-7-18)26-14-4-2-3-5-15-26/h6-13H,2-5,14-17H2,1H3,(H,24,27)(H,25,28)