3-[(2R)-butan-2-yl]oxy-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3-[(2R)-butan-2-yl]oxy-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-[(1R)-1-methylpropoxy]benzamide CAS Name: 3-[(2R)-butan-2-yl]oxy-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-[(2R)-butan-2-yl]oxy-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-[(1R)-1-methylpropoxy]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(=CC=C4)OC(C)CC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)O[C@H](C)CC)C

InChI

InChI=1S/C29H33N5O2S/c1-5-7-9-21-12-14-23(15-13-21)34-32-26-16-19(3)25(18-27(26)33-34)30-29(37)31-28(35)22-10-8-11-24(17-22)36-20(4)6-2/h8,10-18,20H,5-7,9H2,1-4H3,(H2,30,31,35,37)/t20-/m1/s1