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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C31H29N5OS MolecularWeight: 519.65986

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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)C5=CC=CC=C5)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H29N5OS/c1-3-4-8-22-11-17-26(18-12-22)36-34-28-19-21(2)27(20-29(28)35-36)32-31(38)33-30(37)25-15-13-24(14-16-25)23-9-6-5-7-10-23/h5-7,9-20H,3-4,8H2,1-2H3,(H2,32,33,37,38)