N-[7-chloranyl-4-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinazolin-6-yl]ethanamide

Systemtic Name: N-[7-chloranyl-4-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinazolin-6-yl]ethanamide Openeye Name: N-[4-[4-(benzylcarbamothioyl)piperazin-1-yl]-7-chloro-quinazolin-6-yl]acetamide CAS Name: N-[7-chloro-4-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-6-quinazolinyl]acetamide IUPAC Name: N-[4-[4-(benzylcarbamothioyl)piperazin-1-yl]-7-chloroquinazolin-6-yl]acetamide Traditional Name: N-[4-[4-(benzylthiocarbamoyl)piperazino]-7-chloro-quinazolin-6-yl]acetamide Formula: C22H23ClN6OS MolecularWeight: 454.97562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN6OS/c1-15(30)27-20-11-17-19(12-18(20)23)25-14-26-21(17)28-7-9-29(10-8-28)22(31)24-13-16-5-3-2-4-6-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,24,31)(H,27,30)