1-(phenylazanylcarbamothioylamino)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(phenylazanylcarbamothioylamino)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(anilinocarbamothioylamino)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[[(phenylhydrazo)-sulfanylidenemethyl]amino]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(anilinocarbamothioylamino)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(anilinothiocarbamoylamino)-1-(3-pyridylmethyl)thiourea Formula: C14H16N6S2 MolecularWeight: 332.44704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NNC(=S)NN(CC2=CN=CC=C2)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)NNC(=S)NN(CC2=CN=CC=C2)C(=S)N

InChI

InChI=1S/C14H16N6S2/c15-13(21)20(10-11-5-4-8-16-9-11)19-14(22)18-17-12-6-2-1-3-7-12/h1-9,17H,10H2,(H2,15,21)(H2,18,19,22)