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

Systemtic Name: N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]octanamide CAS Name: N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]caprylamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-4-5-6-7-8-9-17(25)22-20(28)24-23-19(27)15-10-12-16(13-11-15)21-18(26)14(2)3/h10-14H,4-9H2,1-3H3,(H,21,26)(H,23,27)(H2,22,24,25,28)