N-(4-bromophenyl)-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-[6-methoxy-7-(2-morpholinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[6-methoxy-7-[2-(4-morpholinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-[6-methoxy-7-(2-morpholinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C26H31BrN6O3S MolecularWeight: 587.53174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)Br)OCCN5CCOCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)Br)OCCN5CCOCC5

InChI

InChI=1S/C26H31BrN6O3S/c1-34-23-16-21-22(17-24(23)36-15-12-31-10-13-35-14-11-31)28-18-29-25(21)32-6-8-33(9-7-32)26(37)30-20-4-2-19(27)3-5-20/h2-5,16-18H,6-15H2,1H3,(H,30,37)