(4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 3-(3,4-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 3-(3,4-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=C(C=C(C=C1)N=C(N)SCC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

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

InChI

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