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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-chloranyl-4-nitro-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-chloro-4-nitro-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-chloro-4-nitrobenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-chloro-4-nitrobenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-chloro-4-nitro-benzamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S/c1-2-3-4-11-5-8-15-16(9-11)26-18(20-15)21-17(23)13-7-6-12(22(24)25)10-14(13)19/h5-10H,2-4H2,1H3,(H,20,21,23)