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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperidyl]-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone Traditional Name: 3,5-dihydro-2H-1,4-benzothiazepin-4-yl-(4-piperonylpiperidino)methanone Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC3=C(C=C2)OCO3)C(=O)N4CCSC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1CC2=CC3=C(C=C2)OCO3)C(=O)N4CCSC5=CC=CC=C5C4

InChI

InChI=1S/C23H26N2O3S/c26-23(25-11-12-29-22-4-2-1-3-19(22)15-25)24-9-7-17(8-10-24)13-18-5-6-20-21(14-18)28-16-27-20/h1-6,14,17H,7-13,15-16H2