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

Systemtic Name: N-[3-[1,3-benzothiazol-2-yl-(4-chlorophenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[N-(1,3-benzothiazol-2-yl)-4-chloro-anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[N-(1,3-benzothiazol-2-yl)-4-chloroanilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[N-(1,3-benzothiazol-2-yl)-4-chloroanilino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[N-(1,3-benzothiazol-2-yl)-4-chloro-anilino]-3-keto-propyl]-4-nitro-benzamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(C3=CC=C(C=C3)Cl)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(C3=CC=C(C=C3)Cl)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O4S/c24-16-7-11-17(12-8-16)27(23-26-19-3-1-2-4-20(19)33-23)21(29)13-14-25-22(30)15-5-9-18(10-6-15)28(31)32/h1-12H,13-14H2,(H,25,30)