(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: (7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-(4-phenylpiperazino)methanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c1-26-19-7-8-20-17(15-19)16-24(13-14-27-20)21(25)23-11-9-22(10-12-23)18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3