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

Systemtic Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-[ethyl(isopropyl)amino]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-[ethyl(isopropyl)amino]phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C(C)C

InChI

InChI=1S/C21H25N3O2S/c1-4-24(14(2)3)17-8-6-16(7-9-17)22-21(26)15-5-10-19-18(13-15)23-20(25)11-12-27-19/h5-10,13-14H,4,11-12H2,1-3H3,(H,22,26)(H,23,25)