7-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(4-benzylpiperidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(4-benzylpiperidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-benzylpiperidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H24N2O2S/c25-21-10-13-27-20-7-6-18(15-19(20)23-21)22(26)24-11-8-17(9-12-24)14-16-4-2-1-3-5-16/h1-7,15,17H,8-14H2,(H,23,25)