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

Systemtic Name: 1-[(Z)-1-phenylethylideneamino]-3-[4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]butyl]thiourea Openeye Name: 1-[(Z)-1-phenylethylideneamino]-3-[4-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]butyl]thiourea CAS Name: 1-[(Z)-1-phenylethylideneamino]-3-[4-[[[(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]butyl]thiourea IUPAC Name: 1-[(Z)-1-phenylethylideneamino]-3-[4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]butyl]thiourea Traditional Name: 1-[(Z)-1-phenylethylideneamino]-3-[4-[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]butyl]thiourea Formula: C21H27N7S2 MolecularWeight: 441.61598

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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=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7S2/c1-16(18-10-4-3-5-11-18)25-27-20(29)23-14-8-9-15-24-21(30)28-26-17(2)19-12-6-7-13-22-19/h3-7,10-13H,8-9,14-15H2,1-2H3,(H2,23,27,29)(H2,24,28,30)/b25-16-,26-17+