N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C24H20N4O4S/c1-13-10-14(2)21-20(11-13)25-23(32-21)18-8-5-9-19(15(18)3)26-24(33)27-22(29)16-6-4-7-17(12-16)28(30)31/h4-12H,1-3H3,(H2,26,27,29,33)