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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC(=NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC(=NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H13ClN4OS/c17-10-5-7-11(8-6-10)19-16(18)23-9-14-20-13-4-2-1-3-12(13)15(22)21-14/h1-8H,9H2,(H2,18,19)(H,20,21,22)