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

Systemtic Name: 3-(3-methoxypropyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea Openeye Name: 3-(3-methoxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 3-(3-methoxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-2-oxolanyl]methyl]thiourea IUPAC Name: 3-(3-methoxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NCCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-15-6-7-19-16(11-15)12-17(20(25)23-19)13-24(14-18-5-3-10-27-18)21(28)22-8-4-9-26-2/h6-7,11-12,18H,3-5,8-10,13-14H2,1-2H3,(H,22,28)(H,23,25)/t18-/m0/s1