1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-ethyl-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-ethyl-3-(2-methylphenyl)thiourea Openeye Name: 1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-1-ethyl-3-(o-tolyl)thiourea CAS Name: 1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-1-ethyl-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-1-ethyl-3-(2-methylphenyl)thiourea Traditional Name: 1-ethyl-1-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-3-(o-tolyl)thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C21H24N4O3S/c1-5-25(21(29)23-15-9-7-6-8-13(15)2)12-19-22-16-11-18(28-4)17(27-3)10-14(16)20(26)24-19/h6-11H,5,12H2,1-4H3,(H,23,29)(H,22,24,26)