N-[3-[1,3-benzothiazol-2-yl-(4-ethylphenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1,3-benzothiazol-2-yl-(4-ethylphenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethyl-anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethylanilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethylanilino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethyl-anilino]-3-keto-propyl]-4-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-2-17-7-11-19(12-8-17)28(25-27-21-5-3-4-6-22(21)34-25)23(30)15-16-26-24(31)18-9-13-20(14-10-18)29(32)33/h3-14H,2,15-16H2,1H3,(H,26,31)