3-(2,5-dimethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 3-(2,5-dimethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 3-(2,5-dimethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 3-(2,5-dimethylphenyl)-1-(2-methoxyethyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 3-(2,5-dimethylphenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]-1-(2-methoxyethyl)thiourea Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N(CCOC)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N(CCOC)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H24N4O2S/c1-14-8-9-15(2)18(12-14)23-21(28)25(10-11-27-3)13-19-22-17-7-5-4-6-16(17)20(26)24-19/h4-9,12H,10-11,13H2,1-3H3,(H,23,28)(H,22,24,26)