1-phenylazanyl-3-(pyridin-3-ylmethylcarbamothioylamino)thiourea

Systemtic Name: 1-phenylazanyl-3-(pyridin-3-ylmethylcarbamothioylamino)thiourea Openeye Name: 1-anilino-3-(3-pyridylmethylcarbamothioylamino)thiourea CAS Name: 1-anilino-3-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-anilino-3-(pyridin-3-ylmethylcarbamothioylamino)thiourea Traditional Name: 1-anilino-3-(3-pyridylmethylthiocarbamoylamino)thiourea Formula: C14H16N6S2 MolecularWeight: 332.44704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NNC(=S)NNC(=S)NCC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NNC(=S)NNC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C14H16N6S2/c21-13(16-10-11-5-4-8-15-9-11)18-20-14(22)19-17-12-6-2-1-3-7-12/h1-9,17H,10H2,(H2,16,18,21)(H2,19,20,22)