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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3,4-dimethylphenyl)isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(3,4-dimethylphenyl)isothiourea Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C

InChI

InChI=1S/C18H17ClN4OS/c1-10-3-5-13(7-11(10)2)21-18(20)25-9-16-22-15-8-12(19)4-6-14(15)17(24)23-16/h3-8H,9H2,1-2H3,(H2,20,21)(H,22,23,24)