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

Systemtic Name: 3-butyl-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 3-butyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 3-butyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 3-butyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 3-butyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1CCCO1)CC2=CC3=C(C=CC(=C3NC2=O)C)C

Isomeric SMILES

CCCCNC(=S)N(C[C@H]1CCCO1)CC2=CC3=C(C=CC(=C3NC2=O)C)C

InChI

InChI=1S/C22H31N3O2S/c1-4-5-10-23-22(28)25(14-18-7-6-11-27-18)13-17-12-19-15(2)8-9-16(3)20(19)24-21(17)26/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,23,28)(H,24,26)/t18-/m1/s1