N-(hexadecylcarbamothioyl)-3-(3-methylbutoxy)benzamide

Systemtic Name: N-(hexadecylcarbamothioyl)-3-(3-methylbutoxy)benzamide Openeye Name: N-(hexadecylcarbamothioyl)-3-isopentyloxy-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-(hexadecylcarbamothioyl)-3-(3-methylbutoxy)benzamide Traditional Name: N-(cetylthiocarbamoyl)-3-isoamoxy-benzamide Formula: C29H50N2O2S MolecularWeight: 490.7845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)OCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=CC=C1)OCCC(C)C

InChI

InChI=1S/C29H50N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-29(34)31-28(32)26-19-18-20-27(24-26)33-23-21-25(2)3/h18-20,24-25H,4-17,21-23H2,1-3H3,(H2,30,31,32,34)