4-benzo[g]quinazolin-4-yl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-benzo[g]quinazolin-4-yl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzo[g]quinazolin-4-yl-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-benzo[g]quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzo[g]quinazolin-4-yl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-benzo[g]quinazolin-4-yl-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C23H22N6S MolecularWeight: 414.52598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC4=CC=CC=C4C=C32)C(=S)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC4=CC=CC=C4C=C32)C(=S)NCC5=CN=CC=C5

InChI

InChI=1S/C23H22N6S/c30-23(25-15-17-4-3-7-24-14-17)29-10-8-28(9-11-29)22-20-12-18-5-1-2-6-19(18)13-21(20)26-16-27-22/h1-7,12-14,16H,8-11,15H2,(H,25,30)