8-chloranyl-2-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one

Systemtic Name: 8-chloranyl-2-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one Openeye Name: 8-chloro-2-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one CAS Name: 8-chloro-2-[3-(4-methyl-1-piperazinyl)propyl]-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one IUPAC Name: 8-chloro-2-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one Traditional Name: 8-chloro-2-[3-(4-methylpiperazino)propyl]-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepin-1-one Formula: C18H24ClN5OS MolecularWeight: 393.93406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C(=O)N3C(=N2)CCSC4=C3C=CC(=C4)Cl

Isomeric SMILES

CN1CCN(CC1)CCCN2C(=O)N3C(=N2)CCSC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C18H24ClN5OS/c1-21-8-10-22(11-9-21)6-2-7-23-18(25)24-15-4-3-14(19)13-16(15)26-12-5-17(24)20-23/h3-4,13H,2,5-12H2,1H3