3-(4-propylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(4-propylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-propylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo-(4-propyl-1-piperazinyl)methyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-propylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-propylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H23N3O2S/c1-2-9-23-10-12-24(13-11-23)21(26)15-7-8-19-17(14-15)22-20(25)16-5-3-4-6-18(16)27-19/h3-8,14H,2,9-13H2,1H3,(H,22,25)