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

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C30H27N5OS MolecularWeight: 505.63328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H27N5OS/c1-2-3-7-21-10-17-26(18-11-21)35-33-27-19-16-25(20-28(27)34-35)31-30(37)32-29(36)24-14-12-23(13-15-24)22-8-5-4-6-9-22/h4-6,8-20H,2-3,7H2,1H3,(H2,31,32,36,37)