3-(4-ethylphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 3-(4-ethylphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 3-(4-ethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 3-(4-ethylphenyl)-1-[[(2R)-2-oxolanyl]methyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 3-(4-ethylphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 3-(4-ethylphenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(C[C@H]2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O2S/c1-2-16-9-11-17(12-10-16)24-23(30)27(14-18-6-5-13-29-18)15-21-25-20-8-4-3-7-19(20)22(28)26-21/h3-4,7-12,18H,2,5-6,13-15H2,1H3,(H,24,30)(H,25,26,28)/t18-/m1/s1