N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H23N7O4S MolecularWeight: 517.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H23N7O4S/c1-16-13-20-21(29-31(28-20)18-5-3-2-4-6-18)15-19(16)26-25(37)27-24(33)17-7-8-22(23(14-17)32(34)35)30-9-11-36-12-10-30/h2-8,13-15H,9-12H2,1H3,(H2,26,27,33,37)