(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]isothiourea CAS Name: N'-[(2-methoxyphenyl)methyl]carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-o-anisyl-isothiourea Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1CN=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-25-15-5-3-2-4-11(15)9-21-18(20)26-10-16-22-14-8-12(19)6-7-13(14)17(24)23-16/h2-8H,9-10H2,1H3,(H2,20,21)(H,22,23,24)