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

Systemtic Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-chloranyl-4-nitro-benzamide Openeye Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-chloro-4-nitro-benzamide CAS Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-chloro-4-nitrobenzamide IUPAC Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-chloro-4-nitrobenzamide Traditional Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-chloro-4-nitro-benzamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O4S/c1-2-3-8-26-12-5-7-15-16(10-12)27-18(20-15)21-17(23)13-6-4-11(22(24)25)9-14(13)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)