[4-[3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxidanylidene-1,3-thiazinan-2-yl]phenyl] propanoate

Systemtic Name: [4-[3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxidanylidene-1,3-thiazinan-2-yl]phenyl] propanoate Openeye Name: [4-[3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-1,3-thiazinan-2-yl]phenyl] propanoate CAS Name: propanoic acid [4-[3-[3-(4-methyl-1-piperazinyl)propyl]-4-oxo-1,3-thiazinan-2-yl]phenyl] ester IUPAC Name: [4-[3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-1,3-thiazinan-2-yl]phenyl] propanoate Traditional Name: propionic acid [4-[4-keto-3-[3-(4-methylpiperazino)propyl]-1,3-thiazinan-2-yl]phenyl] ester Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C2N(C(=O)CCS2)CCCN3CCN(CC3)C

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C2N(C(=O)CCS2)CCCN3CCN(CC3)C

InChI

InChI=1S/C21H31N3O3S/c1-3-20(26)27-18-7-5-17(6-8-18)21-24(19(25)9-16-28-21)11-4-10-23-14-12-22(2)13-15-23/h5-8,21H,3-4,9-16H2,1-2H3