2-[[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]methylidene]propanediamide

Systemtic Name: 2-[[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]methylidene]propanediamide Openeye Name: 2-[[[(2-oxoindol-3-yl)amino]carbamothioylamino]methylene]propanediamide CAS Name: 2-[[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]methylidene]propanediamide IUPAC Name: 2-[[[(2-oxoindol-3-yl)amino]carbamothioylamino]methylidene]propanediamide Traditional Name: 2-[[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]methylene]malonamide Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NC=C(C(=O)N)C(=O)N

Isomeric SMILES

C1=CC2=C(C(=O)N=C2C=C1)NNC(=S)NC=C(C(=O)N)C(=O)N

InChI

InChI=1S/C13H12N6O3S/c14-10(20)7(11(15)21)5-16-13(23)19-18-9-6-3-1-2-4-8(6)17-12(9)22/h1-5H,(H2,14,20)(H2,15,21)(H2,16,19,23)(H,17,18,22)