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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-2-nitro-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-2-nitro-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-2-nitrobenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-2-nitrobenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-methyl-2-nitro-benzamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-3-4-7-13-9-10-15-16(11-13)26-19(20-15)21-18(23)14-8-5-6-12(2)17(14)22(24)25/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,21,23)