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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(4-chlorophenyl)isothiourea CAS Name: N'-(4-chlorophenyl)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-chlorophenyl)carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(4-chlorophenyl)isothiourea Formula: C16H12Cl2N4OS MolecularWeight: 379.26368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H12Cl2N4OS/c17-9-1-4-11(5-2-9)20-16(19)24-8-14-21-13-7-10(18)3-6-12(13)15(23)22-14/h1-7H,8H2,(H2,19,20)(H,21,22,23)