N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-methylbutanamide Traditional Name: 3-methyl-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC(C)C)C

InChI

InChI=1S/C21H25N5O2S/c1-5-28-16-8-6-15(7-9-16)26-24-18-11-14(4)17(12-19(18)25-26)22-21(29)23-20(27)10-13(2)3/h6-9,11-13H,5,10H2,1-4H3,(H2,22,23,27,29)