4-oxidanylidene-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[4-(pyrrolidinomethyl)benzyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H25N3O2S/c26-21-9-12-28-20-8-7-18(13-19(20)24-21)22(27)23-14-16-3-5-17(6-4-16)15-25-10-1-2-11-25/h3-8,13H,1-2,9-12,14-15H2,(H,23,27)(H,24,26)