(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)isothiourea CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)isothiourea Formula: C18H15ClN4O3S MolecularWeight: 402.8547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H15ClN4O3S/c19-10-1-3-12-13(7-10)22-16(23-17(12)24)9-27-18(20)21-11-2-4-14-15(8-11)26-6-5-25-14/h1-4,7-8H,5-6,9H2,(H2,20,21)(H,22,23,24)