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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3CSC4=CC=CC=C4NC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3CSC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H25N3O2S/c26-21(14-18-16-28-20-9-5-4-8-19(20)23-22(18)27)25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,27)