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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(3-pyridylmethyl)thiourea Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4CC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4CC

InChI

InChI=1S/C27H28N4OS/c1-3-19-11-12-25-22(14-19)15-23(26(32)29-25)18-31(17-20-8-7-13-28-16-20)27(33)30-24-10-6-5-9-21(24)4-2/h5-16H,3-4,17-18H2,1-2H3,(H,29,32)(H,30,33)