N-[2-(azepan-1-yl)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C20H26N4O3S/c1-15-12-18(23-27-15)22-20(26)14-28-13-19(25)21-16-8-4-5-9-17(16)24-10-6-2-3-7-11-24/h4-5,8-9,12H,2-3,6-7,10-11,13-14H2,1H3,(H,21,25)(H,22,23,26)