3-ethyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-ethyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-ethyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-ethyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCC

InChI

InChI=1S/C21H24N4OS/c1-3-15-7-8-19-17(10-15)11-18(20(26)24-19)14-25(21(27)23-4-2)13-16-6-5-9-22-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,26)