N-[4-(diethylamino)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-[4-(diethylamino)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[4-(diethylamino)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-[4-(diethylamino)phenyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(diethylamino)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C25H32N6O2S MolecularWeight: 480.62558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C25H32N6O2S/c1-5-29(6-2)19-9-7-18(8-10-19)28-25(34)31-13-11-30(12-14-31)24-20-15-22(32-3)23(33-4)16-21(20)26-17-27-24/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,28,34)