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

Systemtic Name: N-(4-cyanophenyl)-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(4-cyanophenyl)-4-[6-methoxy-7-(2-morpholinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(4-cyanophenyl)-4-[6-methoxy-7-[2-(4-morpholinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-cyanophenyl)-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(4-cyanophenyl)-4-[6-methoxy-7-(2-morpholinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C27H31N7O3S MolecularWeight: 533.64514

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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)C#N)OCCN5CCOCC5

Isomeric SMILES

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

InChI

InChI=1S/C27H31N7O3S/c1-35-24-16-22-23(17-25(24)37-15-12-32-10-13-36-14-11-32)29-19-30-26(22)33-6-8-34(9-7-33)27(38)31-21-4-2-20(18-28)3-5-21/h2-5,16-17,19H,6-15H2,1H3,(H,31,38)