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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-2-25-13-6-4-12(5-7-13)21-18(20)26-10-16-22-15-9-11(19)3-8-14(15)17(24)23-16/h3-9H,2,10H2,1H3,(H2,20,21)(H,22,23,24)