piperidin-1-yl-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]methanone

Systemtic Name: piperidin-1-yl-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]methanone Openeye Name: 1-piperidyl-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]phenyl]methanone CAS Name: 1-piperidinyl-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]methanone IUPAC Name: piperidin-1-yl-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]methanone Traditional Name: piperidino-[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]phenyl]methanone Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C21H22N4OS/c26-20(25-12-4-1-5-13-25)16-10-8-15(9-11-16)14-22-19-17-6-2-3-7-18(17)23-21(27)24-19/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23,24,27)