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

Systemtic Name: N-[1-[4-(cyclopropylcarbonylamino)phenyl]ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-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:

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H23N3O3S/c1-13(14-4-7-17(8-5-14)24-21(27)15-2-3-15)23-22(28)16-6-9-19-18(12-16)25-20(26)10-11-29-19/h4-9,12-13,15H,2-3,10-11H2,1H3,(H,23,28)(H,24,27)(H,25,26)