3-azanyl-2-(1,3-benzothiazol-2-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-amino-2-(1,3-benzothiazol-2-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-amino-2-[(1,3-benzothiazol-2-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-amino-2-[(1,3-benzothiazol-2-ylthio)methyl]quinazolin-4-one Formula: C16H12N4OS2 MolecularWeight: 340.42268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C16H12N4OS2/c17-20-14(18-11-6-2-1-5-10(11)15(20)21)9-22-16-19-12-7-3-4-8-13(12)23-16/h1-8H,9,17H2