N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]octanamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]octanamide Traditional Name: N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]caprylamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-4-5-6-7-8-9-17(23)22-19(25)21-16-12-10-15(11-13-16)20-18(24)14(2)3/h10-14H,4-9H2,1-3H3,(H,20,24)(H2,21,22,23,25)