N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]octanamide

Systemtic Name: N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]octanamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]octanamide CAS Name: N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]caprylamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)CCC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)CCC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C20H30N4O3S/c1-2-3-4-5-9-12-18(26)22-20(28)24-23-19(27)14-13-17(25)21-15-16-10-7-6-8-11-16/h6-8,10-11H,2-5,9,12-15H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,28)