3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C27H28N4O2S MolecularWeight: 472.60182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC4=C(C=C(C=C4)C)C

InChI

InChI=1S/C27H28N4O2S/c1-4-33-23-8-10-25-21(14-23)13-22(26(32)29-25)17-31(16-20-6-5-11-28-15-20)27(34)30-24-9-7-18(2)12-19(24)3/h5-15H,4,16-17H2,1-3H3,(H,29,32)(H,30,34)