N-[2-methyl-5-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[2-methyl-5-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[2-methyl-5-[3-(1-piperidyl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[2-methyl-5-[oxo-[3-(1-piperidinyl)propylamino]methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[2-methyl-5-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[2-methyl-5-(3-piperidinopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCCC2)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCCC2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C21H29N3O3S/c1-16-6-7-17(14-18(16)23-21(26)19-15-28-13-12-27-19)20(25)22-8-5-11-24-9-3-2-4-10-24/h6-7,14-15H,2-5,8-13H2,1H3,(H,22,25)(H,23,26)