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

Systemtic Name: 2-methyl-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C26H18N4O4S MolecularWeight: 482.51052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H18N4O4S/c1-15-18(9-5-11-22(15)30(32)33)24(31)29-26(35)27-17-12-13-23-21(14-17)28-25(34-23)20-10-4-7-16-6-2-3-8-19(16)20/h2-14H,1H3,(H2,27,29,31,35)