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

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C26H26ClN5O3S MolecularWeight: 524.03434

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN5O3S/c1-4-5-6-16-7-9-18(10-8-16)32-30-23-14-21(27)22(15-24(23)31-32)28-26(36)29-25(33)17-11-19(34-2)13-20(12-17)35-3/h7-15H,4-6H2,1-3H3,(H2,28,29,33,36)