1-[(E)-1-pyridin-2-ylethylideneamino]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 1-[(E)-1-(2-pyridinyl)ethylideneamino]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-[(E)-1-pyridin-2-ylethylideneamino]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-[(E)-1-(2-pyridyl)ethylideneamino]-3-(3,4,5-trimethoxybenzyl)thiourea Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC(=C(C(=C1)OC)OC)OC)C2=CC=CC=N2

Isomeric SMILES

C/C(=N\NC(=S)NCC1=CC(=C(C(=C1)OC)OC)OC)/C2=CC=CC=N2

InChI

InChI=1S/C18H22N4O3S/c1-12(14-7-5-6-8-19-14)21-22-18(26)20-11-13-9-15(23-2)17(25-4)16(10-13)24-3/h5-10H,11H2,1-4H3,(H2,20,22,26)/b21-12+