2-morpholin-4-yl-5-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C24H21N7O4S MolecularWeight: 503.53304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N7O4S/c32-23(19-15-18(31(33)34)7-9-22(19)29-10-12-35-13-11-29)26-24(36)25-16-6-8-20-21(14-16)28-30(27-20)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H2,25,26,32,36)