[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone Traditional Name: (7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-(4-piperonylpiperazino)methanone Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O4S/c1-28-19-3-5-22-18(13-19)15-26(10-11-31-22)23(27)25-8-6-24(7-9-25)14-17-2-4-20-21(12-17)30-16-29-20/h2-5,12-13H,6-11,14-16H2,1H3