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

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 3-isobutyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(tetrahydrofurfuryl)thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-14(2)11-22-21(27)24(13-18-5-4-8-26-18)12-17-10-16-9-15(3)6-7-19(16)23-20(17)25/h6-7,9-10,14,18H,4-5,8,11-13H2,1-3H3,(H,22,27)(H,23,25)