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

Systemtic Name: 3,5-dihydro-2H-1,4-benzothiazepin-4-yl-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone CAS Name: 3,5-dihydro-2H-1,4-benzothiazepin-4-yl-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone Traditional Name: (4-benzylpiperazino)-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone Formula: C21H25N3OS MolecularWeight: 367.5077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)N3CCSC4=CC=CC=C4C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)N3CCSC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3OS/c25-21(24-14-15-26-20-9-5-4-8-19(20)17-24)23-12-10-22(11-13-23)16-18-6-2-1-3-7-18/h1-9H,10-17H2