1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-ethylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-(2-furfuryl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CO2)CC3=CC4=C(C=CC(=C4NC3=O)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CO2)CC3=CC4=C(C=CC(=C4NC3=O)C)C

InChI

InChI=1S/C26H27N3O2S/c1-4-19-8-5-6-10-23(19)27-26(32)29(16-21-9-7-13-31-21)15-20-14-22-17(2)11-12-18(3)24(22)28-25(20)30/h5-14H,4,15-16H2,1-3H3,(H,27,32)(H,28,30)