1-[(E)-1-pyridin-2-ylethylideneamino]-3-[4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]butyl]thiourea

Systemtic Name: 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]butyl]thiourea Openeye Name: 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[4-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]butyl]thiourea CAS Name: 1-[(E)-1-(2-pyridinyl)ethylideneamino]-3-[4-[[[(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]butyl]thiourea IUPAC Name: 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]butyl]thiourea Traditional Name: 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[4-[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]butyl]thiourea Formula: C20H26N8S2 MolecularWeight: 442.60404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2

Isomeric SMILES

C/C(=N\NC(=S)NCCCCNC(=S)N/N=C(/C1=CC=CC=N1)\C)/C2=CC=CC=N2

InChI

InChI=1S/C20H26N8S2/c1-15(17-9-3-5-11-21-17)25-27-19(29)23-13-7-8-14-24-20(30)28-26-16(2)18-10-4-6-12-22-18/h3-6,9-12H,7-8,13-14H2,1-2H3,(H2,23,27,29)(H2,24,28,30)/b25-15+,26-16+