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

Systemtic Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[2-(4-ethylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C26H25N7O4S MolecularWeight: 531.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N7O4S/c1-2-17-3-7-20(8-4-17)32-29-21-9-6-19(16-22(21)30-32)27-26(38)28-25(34)18-5-10-23(24(15-18)33(35)36)31-11-13-37-14-12-31/h3-10,15-16H,2,11-14H2,1H3,(H2,27,28,34,38)