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

Systemtic Name: 1-butyl-3-(2,5-dimethylphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-butyl-3-(2,5-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-3-(2,5-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-butyl-3-(2,5-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-butyl-3-(2,5-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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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