1-ethyl-3-[7-(ethylamino)-4-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinazolin-6-yl]urea

Systemtic Name: 1-ethyl-3-[7-(ethylamino)-4-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinazolin-6-yl]urea Openeye Name: 1-[4-[4-(benzylcarbamothioyl)piperazin-1-yl]-7-(ethylamino)quinazolin-6-yl]-3-ethyl-urea CAS Name: 1-ethyl-3-[7-(ethylamino)-4-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-6-quinazolinyl]urea IUPAC Name: 1-[4-[4-(benzylcarbamothioyl)piperazin-1-yl]-7-(ethylamino)quinazolin-6-yl]-3-ethylurea Traditional Name: 1-[4-[4-(benzylthiocarbamoyl)piperazino]-7-(ethylamino)quinazolin-6-yl]-3-ethyl-urea Formula: C25H32N8OS MolecularWeight: 492.63958

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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)NCC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N8OS/c1-3-26-21-15-20-19(14-22(21)31-24(34)27-4-2)23(30-17-29-20)32-10-12-33(13-11-32)25(35)28-16-18-8-6-5-7-9-18/h5-9,14-15,17,26H,3-4,10-13,16H2,1-2H3,(H,28,35)(H2,27,31,34)