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

Systemtic Name: N-(4-bromophenyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[6-methoxy-7-[2-(1-pyrrolidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-[6-methoxy-7-(2-pyrrolidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C26H31BrN6O2S MolecularWeight: 571.53234

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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)OCCN5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrN6O2S/c1-34-23-16-21-22(17-24(23)35-15-14-31-8-2-3-9-31)28-18-29-25(21)32-10-12-33(13-11-32)26(36)30-20-6-4-19(27)5-7-20/h4-7,16-18H,2-3,8-15H2,1H3,(H,30,36)