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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]isothiourea Formula: C17H15ClN4OS MolecularWeight: 358.8452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4OS/c18-12-6-7-13-14(8-12)21-15(22-16(13)23)10-24-17(19)20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,19,20)(H,21,22,23)