N-(6-butyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-2-3-4-12-5-10-15-16(11-12)25-18(19-15)20-17(22)13-6-8-14(9-7-13)21(23)24/h5-11H,2-4H2,1H3,(H,19,20,22)