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

Systemtic Name: 4-morpholin-4-yl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-morpholino-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-morpholino-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C28H23N7O4S MolecularWeight: 553.59172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C28H23N7O4S/c36-27(19-8-11-25(26(16-19)35(37)38)33-12-14-39-15-13-33)30-28(40)29-20-9-10-22-23(17-20)32-34(31-22)24-7-3-5-18-4-1-2-6-21(18)24/h1-11,16-17H,12-15H2,(H2,29,30,36,40)