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

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-piperonylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC1=O

InChI

InChI=1S/C22H23N3O4S/c26-21-5-10-30-20-4-2-16(12-17(20)23-21)22(27)25-8-6-24(7-9-25)13-15-1-3-18-19(11-15)29-14-28-18/h1-4,11-12H,5-10,13-14H2,(H,23,26)