1-[(E)-pyridin-3-ylmethylideneamino]-3-[4-[[(E)-pyridin-3-ylmethylideneamino]carbamothioylamino]piperazin-1-yl]thiourea

Systemtic Name: 1-[(E)-pyridin-3-ylmethylideneamino]-3-[4-[[(E)-pyridin-3-ylmethylideneamino]carbamothioylamino]piperazin-1-yl]thiourea Openeye Name: 1-[(E)-3-pyridylmethyleneamino]-3-[4-[[(E)-3-pyridylmethyleneamino]carbamothioylamino]piperazin-1-yl]thiourea CAS Name: 1-[(E)-3-pyridinylmethylideneamino]-3-[4-[[[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]-1-piperazinyl]thiourea IUPAC Name: 1-[(E)-pyridin-3-ylmethylideneamino]-3-[4-[[(E)-pyridin-3-ylmethylideneamino]carbamothioylamino]piperazin-1-yl]thiourea Traditional Name: 1-[(E)-3-pyridylmethyleneamino]-3-[4-[[(E)-3-pyridylmethyleneamino]thiocarbamoylamino]piperazino]thiourea Formula: C18H22N10S2 MolecularWeight: 442.56428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1NC(=S)NN=CC2=CN=CC=C2)NC(=S)NN=CC3=CN=CC=C3

Isomeric SMILES

C1N(CCN(C1)NC(=S)N/N=C/C2=CN=CC=C2)NC(=S)N/N=C/C3=CN=CC=C3

InChI

InChI=1S/C18H22N10S2/c29-17(23-21-13-15-3-1-5-19-11-15)25-27-7-9-28(10-8-27)26-18(30)24-22-14-16-4-2-6-20-12-16/h1-6,11-14H,7-10H2,(H2,23,25,29)(H2,24,26,30)/b21-13+,22-14+