N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-butoxy-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-butoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-butoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-4-butoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-4-butoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-butoxy-benzamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21N3O4S/c1-2-3-14-31-18-11-8-16(9-12-18)23(28)25-21-15-17(27(29)30)10-13-19(21)24-26-20-6-4-5-7-22(20)32-24/h4-13,15H,2-3,14H2,1H3,(H,25,28)