N-[3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-2-22(19-21-15-5-3-4-6-16(15)28-19)17(24)11-12-20-18(25)13-7-9-14(10-8-13)23(26)27/h3-10H,2,11-12H2,1H3,(H,20,25)