N-[7-(ethylamino)-4-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinazolin-6-yl]benzamide

Systemtic Name: N-[7-(ethylamino)-4-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinazolin-6-yl]benzamide Openeye Name: N-[4-[4-(benzylcarbamothioyl)piperazin-1-yl]-7-(ethylamino)quinazolin-6-yl]benzamide CAS Name: N-[7-(ethylamino)-4-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-6-quinazolinyl]benzamide IUPAC Name: N-[4-[4-(benzylcarbamothioyl)piperazin-1-yl]-7-(ethylamino)quinazolin-6-yl]benzamide Traditional Name: N-[4-[4-(benzylthiocarbamoyl)piperazino]-7-(ethylamino)quinazolin-6-yl]benzamide Formula: C29H31N7OS MolecularWeight: 525.66774

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H31N7OS/c1-2-30-25-18-24-23(17-26(25)34-28(37)22-11-7-4-8-12-22)27(33-20-32-24)35-13-15-36(16-14-35)29(38)31-19-21-9-5-3-6-10-21/h3-12,17-18,20,30H,2,13-16,19H2,1H3,(H,31,38)(H,34,37)