3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-morpholino-3-nitro-phenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-morpholino-3-nitro-phenyl)methanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c24-20(22-8-3-13-28-19-5-2-1-4-17(19)22)15-6-7-16(18(14-15)23(25)26)21-9-11-27-12-10-21/h1-2,4-7,14H,3,8-13H2