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

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C27H28ClN5O4S MolecularWeight: 554.06032

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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(=C(C(=C4)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN5O4S/c1-5-6-7-16-8-10-18(11-9-16)33-31-21-14-19(28)20(15-22(21)32-33)29-27(38)30-26(34)17-12-23(35-2)25(37-4)24(13-17)36-3/h8-15H,5-7H2,1-4H3,(H2,29,30,34,38)