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

Systemtic Name: N-(4-cyanophenyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(4-cyanophenyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(4-cyanophenyl)-4-[6-methoxy-7-[2-(1-pyrrolidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-cyanophenyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(4-cyanophenyl)-4-[6-methoxy-7-(2-pyrrolidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C27H31N7O2S MolecularWeight: 517.64574

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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)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C#N)OCCN5CCCC5

InChI

InChI=1S/C27H31N7O2S/c1-35-24-16-22-23(17-25(24)36-15-14-32-8-2-3-9-32)29-19-30-26(22)33-10-12-34(13-11-33)27(37)31-21-6-4-20(18-28)5-7-21/h4-7,16-17,19H,2-3,8-15H2,1H3,(H,31,37)