N-[[2-(propanoylcarbamothioylamino)-5-propylsulfanyl-pyridin-3-yl]carbamothioyl]propanamide

Systemtic Name: N-[[2-(propanoylcarbamothioylamino)-5-propylsulfanyl-pyridin-3-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(propanoylcarbamothioylamino)-5-propylsulfanyl-3-pyridyl]carbamothioyl]propanamide CAS Name: N-[[[2-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]-5-(propylthio)-3-pyridinyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(propanoylcarbamothioylamino)-5-propylsulfanylpyridin-3-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(propionylthiocarbamoylamino)-5-(propylthio)-3-pyridyl]thiocarbamoyl]propionamide Formula: C16H23N5O2S3 MolecularWeight: 413.58112

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CN=C(C(=C1)NC(=S)NC(=O)CC)NC(=S)NC(=O)CC

Isomeric SMILES

CCCSC1=CN=C(C(=C1)NC(=S)NC(=O)CC)NC(=S)NC(=O)CC

InChI

InChI=1S/C16H23N5O2S3/c1-4-7-26-10-8-11(18-15(24)19-12(22)5-2)14(17-9-10)21-16(25)20-13(23)6-3/h8-9H,4-7H2,1-3H3,(H2,18,19,22,24)(H2,17,20,21,23,25)