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

Systemtic Name: N-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCN2CCC3=CC=CC=C3C2)NC(=O)C4=CSCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCN2CCC3=CC=CC=C3C2)NC(=O)C4=CSCCO4

InChI

InChI=1S/C25H29N3O3S/c1-18-7-8-20(15-22(18)27-25(30)23-17-32-14-13-31-23)24(29)26-10-4-11-28-12-9-19-5-2-3-6-21(19)16-28/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H,26,29)(H,27,30)