N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[[4-(1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c1-14-6-9-17(12-19(14)27(29)30)21(28)26-23(32)24-13-15-7-10-16(11-8-15)22-25-18-4-2-3-5-20(18)31-22/h2-12H,13H2,1H3,(H2,24,26,28,32)