N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]valeramide Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S2/c1-3-5-6-14(22)20-16(24)18-12-9-7-11(8-10-12)17-15(23)19-13(21)4-2/h7-10H,3-6H2,1-2H3,(H2,17,19,21,23)(H2,18,20,22,24)