4-(2-butyl-4-oxidanylidene-quinazolin-3-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-butyl-4-oxidanylidene-quinazolin-3-yl)piperazine-1-carbothioamide Openeye Name: 4-(2-butyl-4-oxo-quinazolin-3-yl)piperazine-1-carbothioamide CAS Name: 4-(2-butyl-4-oxo-3-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-butyl-4-oxoquinazolin-3-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-butyl-4-keto-quinazolin-3-yl)piperazine-1-carbothioamide Formula: C17H23N5OS MolecularWeight: 345.46242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=O)N1N3CCN(CC3)C(=S)N

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=O)N1N3CCN(CC3)C(=S)N

InChI

InChI=1S/C17H23N5OS/c1-2-3-8-15-19-14-7-5-4-6-13(14)16(23)22(15)21-11-9-20(10-12-21)17(18)24/h4-7H,2-3,8-12H2,1H3,(H2,18,24)