(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C20H22N4O3S/c1-12(13-7-5-4-6-8-13)22-20(21)28-11-18-23-15-10-17(27-3)16(26-2)9-14(15)19(25)24-18/h4-10,12H,11H2,1-3H3,(H2,21,22)(H,23,24,25)/t12-/m1/s1