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

Systemtic Name: N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]pentanamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]valeramide Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-2-3-9-15(23)19-17(25)21-20-16(24)11-10-14(22)18-12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,18,22)(H,20,24)(H2,19,21,23,25)