N1,N2-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-benzene-1,2-dicarboxamide

Systemtic Name: N1,N2-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-benzene-1,2-dicarboxamide Openeye Name: N1,N2-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-phthalamide CAS Name: N1,N2-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzene-1,2-dicarboxamide IUPAC Name: 1-N,2-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzene-1,2-dicarboxamide Traditional Name: N,N'-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitro-phthalamide Formula: C36H25N5O4S2 MolecularWeight: 655.7448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)NC5=CC=C(C=C5)C6=NC7=C(S6)C=C(C=C7)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)NC5=CC=C(C=C5)C6=NC7=C(S6)C=C(C=C7)C

InChI

InChI=1S/C36H25N5O4S2/c1-20-3-15-29-31(17-20)46-35(39-29)22-5-9-24(10-6-22)37-33(42)27-14-13-26(41(44)45)19-28(27)34(43)38-25-11-7-23(8-12-25)36-40-30-16-4-21(2)18-32(30)47-36/h3-19H,1-2H3,(H,37,42)(H,38,43)