(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,5-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,5-dimethylphenyl)-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H18N4OS/c1-11-7-8-12(2)15(9-11)21-18(19)24-10-16-20-14-6-4-3-5-13(14)17(23)22-16/h3-9H,10H2,1-2H3,(H2,19,21)(H,20,22,23)