3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CN=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)C)C

Isomeric SMILES

CCCCNC(=S)N(CC1=CN=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)C)C

InChI

InChI=1S/C23H28N4OS/c1-4-5-9-25-23(29)27(14-18-7-6-8-24-13-18)15-20-12-19-10-16(2)17(3)11-21(19)26-22(20)28/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H,25,29)(H,26,28)