N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide 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)COC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H26N6O4S/c1-3-4-5-18-6-8-19(9-7-18)31-29-23-14-17(2)22(15-24(23)30-31)27-26(37)28-25(33)16-36-21-12-10-20(11-13-21)32(34)35/h6-15H,3-5,16H2,1-2H3,(H2,27,28,33,37)