N-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-keto-propyl]-4-nitro-benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c23-18(21-12-3-13-27-17-5-2-1-4-16(17)21)10-11-20-19(24)14-6-8-15(9-7-14)22(25)26/h1-2,4-9H,3,10-13H2,(H,20,24)