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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C26H26N6O4S MolecularWeight: 518.58744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C26H26N6O4S/c1-4-5-6-17-7-10-19(11-8-17)31-29-21-13-16(2)20(15-22(21)30-31)27-26(37)28-25(33)18-9-12-24(36-3)23(14-18)32(34)35/h7-15H,4-6H2,1-3H3,(H2,27,28,33,37)