3-(2,4-dimethylphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-(3-hydroxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-(3-hydroxypropyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CCCO)CC2=CC3=C(C=CC(=C3)C)NC2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CCCO)CC2=CC3=C(C=CC(=C3)C)NC2=O)C

InChI

InChI=1S/C23H27N3O2S/c1-15-5-7-20(17(3)11-15)25-23(29)26(9-4-10-27)14-19-13-18-12-16(2)6-8-21(18)24-22(19)28/h5-8,11-13,27H,4,9-10,14H2,1-3H3,(H,24,28)(H,25,29)