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

Systemtic Name: N-(2-butyl-4-oxidanylidene-quinazolin-3-yl)pyrrolidine-1-carbothioamide Openeye Name: N-(2-butyl-4-oxo-quinazolin-3-yl)pyrrolidine-1-carbothioamide CAS Name: N-(2-butyl-4-oxo-3-quinazolinyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(2-butyl-4-oxoquinazolin-3-yl)pyrrolidine-1-carbothioamide Traditional Name: N-(2-butyl-4-keto-quinazolin-3-yl)pyrrolidine-1-carbothioamide Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=O)N1NC(=S)N3CCCC3

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=O)N1NC(=S)N3CCCC3

InChI

InChI=1S/C17H22N4OS/c1-2-3-10-15-18-14-9-5-4-8-13(14)16(22)21(15)19-17(23)20-11-6-7-12-20/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,19,23)