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

Systemtic Name: N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[2-(morpholinomethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[2-(4-morpholinylmethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(morpholinomethyl)benzyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCOCC4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCOCC4)NC1=O

InChI

InChI=1S/C22H25N3O3S/c26-21-7-12-29-20-6-5-16(13-19(20)24-21)22(27)23-14-17-3-1-2-4-18(17)15-25-8-10-28-11-9-25/h1-6,13H,7-12,14-15H2,(H,23,27)(H,24,26)