(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3,4-dimethylphenyl)isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 3-(3,4-dimethylphenyl)-2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]isothiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-11-5-6-13(7-12(11)2)22-20(21)28-10-18-23-15-9-17(27-4)16(26-3)8-14(15)19(25)24-18/h5-9H,10H2,1-4H3,(H2,21,22)(H,23,24,25)