(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

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