3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(3-chlorophenyl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C25H23ClN4OS MolecularWeight: 462.99432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CN=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CN=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H23ClN4OS/c1-16-8-9-17(2)23-22(16)11-19(24(31)29-23)15-30(14-18-5-4-10-27-13-18)25(32)28-21-7-3-6-20(26)12-21/h3-13H,14-15H2,1-2H3,(H,28,32)(H,29,31)