N-[4-(2,2-dimethylpropanoyl)-2,2-dimethyl-3-oxidanylidene-dodecan-5-yl]benzenecarbothioamide

Systemtic Name: N-[4-(2,2-dimethylpropanoyl)-2,2-dimethyl-3-oxidanylidene-dodecan-5-yl]benzenecarbothioamide Openeye Name: N-[1-[1-(2,2-dimethylpropanoyl)-3,3-dimethyl-2-oxo-butyl]octyl]benzenecarbothioamide CAS Name: N-[4-(2,2-dimethyl-1-oxopropyl)-2,2-dimethyl-3-oxododecan-5-yl]benzenecarbothioamide IUPAC Name: N-[4-(2,2-dimethylpropanoyl)-2,2-dimethyl-3-oxododecan-5-yl]benzenecarbothioamide Traditional Name: N-[1-(2-keto-3,3-dimethyl-1-pivaloyl-butyl)octyl]thiobenzamide Formula: C26H41NO2S MolecularWeight: 431.67424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C(=O)C(C)(C)C)C(=O)C(C)(C)C)NC(=S)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(C(C(=O)C(C)(C)C)C(=O)C(C)(C)C)NC(=S)C1=CC=CC=C1

InChI

InChI=1S/C26H41NO2S/c1-8-9-10-11-15-18-20(27-24(30)19-16-13-12-14-17-19)21(22(28)25(2,3)4)23(29)26(5,6)7/h12-14,16-17,20-21H,8-11,15,18H2,1-7H3,(H,27,30)