N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-3-methoxy-benzamide Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN5O2S/c1-3-4-6-16-9-11-18(12-10-16)31-29-22-14-20(26)21(15-23(22)30-31)27-25(34)28-24(32)17-7-5-8-19(13-17)33-2/h5,7-15H,3-4,6H2,1-2H3,(H2,27,28,32,34)