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

Systemtic Name: 3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)thiourea Openeye Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furylmethyl)thiourea CAS Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)thiourea IUPAC Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-butyl-1-(2-furfuryl)-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CC=CO1)CC2=CC3=CC(=C(C=C3NC2=O)C)C

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=CO1)CC2=CC3=CC(=C(C=C3NC2=O)C)C

InChI

InChI=1S/C22H27N3O2S/c1-4-5-8-23-22(28)25(14-19-7-6-9-27-19)13-18-12-17-10-15(2)16(3)11-20(17)24-21(18)26/h6-7,9-12H,4-5,8,13-14H2,1-3H3,(H,23,28)(H,24,26)