N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C31H29N5O2S MolecularWeight: 535.65926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C31H29N5O2S/c1-20(2)23-9-13-25(14-10-23)36-34-28-17-21(3)27(18-29(28)35-36)32-31(39)33-30(37)24-11-15-26(16-12-24)38-19-22-7-5-4-6-8-22/h4-18,20H,19H2,1-3H3,(H2,32,33,37,39)