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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)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-methylphenyl)carbamimidothioate Traditional Name: 2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-3-(m-tolyl)isothiourea Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-11-5-4-6-12(7-11)21-19(20)27-10-17-22-14-9-16(26-3)15(25-2)8-13(14)18(24)23-17/h4-9H,10H2,1-3H3,(H2,20,21)(H,22,23,24)