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

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H23N3O3S/c26-20-9-10-29-19-8-7-16(12-18(19)25-20)21(27)23-13-14-3-1-6-17(11-14)24-22(28)15-4-2-5-15/h1,3,6-8,11-12,15H,2,4-5,9-10,13H2,(H,23,27)(H,24,28)(H,25,26)