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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C21H29N3O4S MolecularWeight: 419.53766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NCCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C[C@H]3CCCO3)C(=S)NCCOC

InChI

InChI=1S/C21H29N3O4S/c1-3-27-17-6-7-19-15(12-17)11-16(20(25)23-19)13-24(14-18-5-4-9-28-18)21(29)22-8-10-26-2/h6-7,11-12,18H,3-5,8-10,13-14H2,1-2H3,(H,22,29)(H,23,25)/t18-/m1/s1