[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl carbamimidothioate

Systemtic Name: [3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl carbamimidothioate Openeye Name: 2-[[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]methyl carbamimidothioate Traditional Name: 2-[[3-(2-chlorophenyl)-4-keto-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(=N)N)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC(=N)N)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H13ClN4OS/c17-11-6-2-4-8-13(11)21-14(9-23-16(18)19)20-12-7-3-1-5-10(12)15(21)22/h1-8H,9H2,(H3,18,19)