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

Systemtic Name: N-[2-methyl-5-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[2-methyl-5-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[2-methyl-5-[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[2-methyl-5-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[2-methyl-5-[3-(4-methylpiperazino)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)C)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)C)NC(=O)C3=CSCCO3

InChI

InChI=1S/C21H30N4O3S/c1-16-4-5-17(14-18(16)23-21(27)19-15-29-13-12-28-19)20(26)22-6-3-7-25-10-8-24(2)9-11-25/h4-5,14-15H,3,6-13H2,1-2H3,(H,22,26)(H,23,27)