N-[5-[3-(azepan-1-yl)propylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[5-[3-(azepan-1-yl)propylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-[3-(azepan-1-yl)propylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[[3-(1-azepanyl)propylamino]-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-[3-(azepan-1-yl)propylcarbamoyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-[3-(azepan-1-yl)propylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCCCC2)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCCCC2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C22H31N3O3S/c1-17-7-8-18(15-19(17)24-22(27)20-16-29-14-13-28-20)21(26)23-9-6-12-25-10-4-2-3-5-11-25/h7-8,15-16H,2-6,9-14H2,1H3,(H,23,26)(H,24,27)