N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C25H24N6O4S MolecularWeight: 504.56086

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)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O4S/c1-3-4-5-16-6-10-19(11-7-16)30-28-20-12-9-18(15-21(20)29-30)26-25(36)27-24(32)17-8-13-23(35-2)22(14-17)31(33)34/h6-15H,3-5H2,1-2H3,(H2,26,27,32,36)