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

Systemtic Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-2-3-10-25-14-8-9-15-16(11-14)26-18(19-15)20-17(22)12-4-6-13(7-5-12)21(23)24/h4-9,11H,2-3,10H2,1H3,(H,19,20,22)