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

Systemtic Name: N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]hexanamide Openeye Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]hexanamide Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-4-5-6-7-15(23)20-18(26)22-21-17(25)13-8-10-14(11-9-13)19-16(24)12(2)3/h8-12H,4-7H2,1-3H3,(H,19,24)(H,21,25)(H2,20,22,23,26)