4-[7-(ethylamino)-6-(methylsulfonylamino)quinazolin-4-yl]-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[7-(ethylamino)-6-(methylsulfonylamino)quinazolin-4-yl]-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-[7-(ethylamino)-6-(methanesulfonamido)quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: 4-[7-(ethylamino)-6-(methanesulfonamido)-4-quinazolinyl]-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-[7-(ethylamino)-6-(methanesulfonamido)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-benzyl-4-[7-(ethylamino)-6-(methanesulfonamido)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C23H29N7O2S2 MolecularWeight: 499.65206

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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)NS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O2S2/c1-3-24-20-14-19-18(13-21(20)28-34(2,31)32)22(27-16-26-19)29-9-11-30(12-10-29)23(33)25-15-17-7-5-4-6-8-17/h4-8,13-14,16,24,28H,3,9-12,15H2,1-2H3,(H,25,33)