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

Systemtic Name: N-[4-[3-(azepan-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[4-[3-(azepan-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[4-[[3-(1-azepanyl)propylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[4-[3-(azepan-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[4-[3-(azepan-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CSCCO3

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C21H29N3O3S/c25-20(22-10-5-13-24-11-3-1-2-4-12-24)17-6-8-18(9-7-17)23-21(26)19-16-28-15-14-27-19/h6-9,16H,1-5,10-15H2,(H,22,25)(H,23,26)