N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]octanamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]octanamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]caprylamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CC(C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CC(C)C

InChI

InChI=1S/C20H31N3O2S/c1-4-5-6-7-8-9-18(24)23-20(26)22-17-12-10-16(11-13-17)21-19(25)14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,21,25)(H2,22,23,24,26)