N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]hexanamide Traditional Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]hexanamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)CC

InChI

InChI=1S/C22H27N5OS/c1-4-6-7-8-21(28)24-22(29)23-18-14-20-19(13-15(18)3)25-27(26-20)17-11-9-16(5-2)10-12-17/h9-14H,4-8H2,1-3H3,(H2,23,24,28,29)