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

Systemtic Name: 1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-(3-hydroxypropyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-(3-hydroxypropyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-(3-hydroxypropyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-(3-hydroxypropyl)-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NCC3CCCO3

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C20H27N3O4S/c1-26-16-5-6-18-14(11-16)10-15(19(25)22-18)13-23(7-3-8-24)20(28)21-12-17-4-2-9-27-17/h5-6,10-11,17,24H,2-4,7-9,12-13H2,1H3,(H,21,28)(H,22,25)/t17-/m1/s1