3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyleneamino)-4-(3-nitrophenyl)-N-phenethyl-thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3-nitrophenyl)-N-phenethyl-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3-nitrophenyl)-N-phenethyl-1,3-thiazol-2-imine Traditional Name: [4-(3-nitrophenyl)-2-phenethylimino-4-thiazolin-3-yl]-piperonylidene-amine Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C(=CSC3=NCCC4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=NN3C(=CSC3=NCCC4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O4S/c30-29(31)21-8-4-7-20(14-21)22-16-34-25(26-12-11-18-5-2-1-3-6-18)28(22)27-15-19-9-10-23-24(13-19)33-17-32-23/h1-10,13-16H,11-12,17H2