1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-phenethyl-thiourea

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-phenethyl-thiourea Openeye Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-2-oxolanyl]methyl]-3-phenethylthiourea IUPAC Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-phenethylthiourea Traditional Name: 1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-phenethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C[C@H]3CCCO3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-18-9-10-23-20(14-18)15-21(24(29)27-23)16-28(17-22-8-5-13-30-22)25(31)26-12-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,14-15,22H,5,8,11-13,16-17H2,1H3,(H,26,31)(H,27,29)/t22-/m1/s1