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

Systemtic Name: 4-methoxy-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C26H18N4O5S MolecularWeight: 498.50992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H18N4O5S/c1-34-23-10-8-17(13-21(23)30(32)33)24(31)29-26(36)27-19-9-11-22-20(14-19)28-25(35-22)18-7-6-15-4-2-3-5-16(15)12-18/h2-14H,1H3,(H2,27,29,31,36)