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

Systemtic Name: 1-butyl-3-(3,5-dimethylphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-butyl-3-(3,5-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-3-(3,5-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-butyl-3-(3,5-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-butyl-3-(3,5-dimethylphenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H26N4OS/c1-4-5-10-26(22(28)23-17-12-15(2)11-16(3)13-17)14-20-24-19-9-7-6-8-18(19)21(27)25-20/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,23,28)(H,24,25,27)