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

Systemtic Name: 4-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C25H18N6O4S MolecularWeight: 498.51322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C25H18N6O4S/c1-35-23-12-9-16(13-22(23)31(33)34)24(32)27-25(36)26-17-10-11-19-20(14-17)29-30(28-19)21-8-4-6-15-5-2-3-7-18(15)21/h2-14H,1H3,(H2,26,27,32,36)