7-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-keto-2-piperidino-ethyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H28N4O3S/c26-19-6-13-29-18-5-4-16(14-17(18)22-19)21(28)25-11-9-23(10-12-25)15-20(27)24-7-2-1-3-8-24/h4-5,14H,1-3,6-13,15H2,(H,22,26)