1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-(3-hydroxypropyl)-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C20H27N3O3S/c1-14-5-2-6-15-11-16(19(25)22-18(14)15)13-23(8-4-9-24)20(27)21-12-17-7-3-10-26-17/h2,5-6,11,17,24H,3-4,7-10,12-13H2,1H3,(H,21,27)(H,22,25)/t17-/m1/s1