N-(6-butyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-2-3-6-12-9-10-14-16(11-12)25-18(19-14)20-17(22)13-7-4-5-8-15(13)21(23)24/h4-5,7-11H,2-3,6H2,1H3,(H,19,20,22)