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

Systemtic Name: N-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[4-[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[4-[3-(4-methylpiperazino)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CSCCO3

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C20H28N4O3S/c1-23-9-11-24(12-10-23)8-2-7-21-19(25)16-3-5-17(6-4-16)22-20(26)18-15-28-14-13-27-18/h3-6,15H,2,7-14H2,1H3,(H,21,25)(H,22,26)