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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C29H33N5O2S MolecularWeight: 515.66962

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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)OCC(C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)OCC(C)C)C

InChI

InChI=1S/C29H33N5O2S/c1-5-6-7-21-8-12-23(13-9-21)34-32-26-16-20(4)25(17-27(26)33-34)30-29(37)31-28(35)22-10-14-24(15-11-22)36-18-19(2)3/h8-17,19H,5-7,18H2,1-4H3,(H2,30,31,35,37)