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

Systemtic Name: 3-butyl-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-butyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-butyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-butyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-5,8-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=C(C=CC(=C3NC2=O)C)C

Isomeric SMILES

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

InChI

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