1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)-3-(1-phenylethyl)thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)-3-(1-phenylethyl)thiourea Openeye Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-oxolanylmethyl)-3-(1-phenylethyl)thiourea IUPAC Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)-3-(1-phenylethyl)thiourea Traditional Name: 1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(tetrahydrofurfuryl)thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3CCCO3)C(=S)NC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3CCCO3)C(=S)NC(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H31N3O2S/c1-17-12-21-14-22(25(30)28-24(21)13-18(17)2)15-29(16-23-10-7-11-31-23)26(32)27-19(3)20-8-5-4-6-9-20/h4-6,8-9,12-14,19,23H,7,10-11,15-16H2,1-3H3,(H,27,32)(H,28,30)