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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H18N4O4S/c1-13-16(22-24-18-9-3-4-12-20(18)31-22)8-5-10-17(13)25-23(32)26-21(28)15-7-6-11-19(14(15)2)27(29)30/h3-12H,1-2H3,(H2,25,26,28,32)