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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(2-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(2-methoxyphenyl)isothiourea CAS Name: N'-(2-methoxyphenyl)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)carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(2-methoxyphenyl)isothiourea Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-24-14-5-3-2-4-12(14)21-17(19)25-9-15-20-13-8-10(18)6-7-11(13)16(23)22-15/h2-8H,9H2,1H3,(H2,19,21)(H,20,22,23)