1-[(E)-1-pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-3-ylethylideneamino]carbamothioylamino]ethyl]thiourea

Systemtic Name: 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-3-ylethylideneamino]carbamothioylamino]ethyl]thiourea Openeye Name: 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[2-[[(E)-1-(3-pyridyl)ethylideneamino]carbamothioylamino]ethyl]thiourea CAS Name: 1-[(E)-1-(2-pyridinyl)ethylideneamino]-3-[2-[[[(2E)-2-[1-(3-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]ethyl]thiourea IUPAC Name: 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-3-ylethylideneamino]carbamothioylamino]ethyl]thiourea Traditional Name: 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[2-[[(E)-1-(3-pyridyl)ethylideneamino]thiocarbamoylamino]ethyl]thiourea Formula: C18H22N8S2 MolecularWeight: 414.55088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCNC(=S)NN=C(C)C1=CC=CC=N1)C2=CN=CC=C2

Isomeric SMILES

C/C(=N\NC(=S)NCCNC(=S)N/N=C(\C)/C1=CC=CC=N1)/C2=CN=CC=C2

InChI

InChI=1S/C18H22N8S2/c1-13(15-6-5-8-19-12-15)23-25-17(27)21-10-11-22-18(28)26-24-14(2)16-7-3-4-9-20-16/h3-9,12H,10-11H2,1-2H3,(H2,21,25,27)(H2,22,26,28)/b23-13+,24-14+