4-morpholin-4-yl-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-morpholino-3-nitro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C24H21N7O4S MolecularWeight: 503.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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