1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propyl-thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propyl-thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-2-oxolanyl]methyl]-3-propylthiourea IUPAC Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propylthiourea Traditional Name: 1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-propyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-4-7-22-21(27)24(13-18-6-5-8-26-18)12-17-11-16-9-14(2)15(3)10-19(16)23-20(17)25/h9-11,18H,4-8,12-13H2,1-3H3,(H,22,27)(H,23,25)/t18-/m0/s1