4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(naphthalen-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(naphthalen-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]-N-(2-naphthylmethyl)piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-N-(2-naphthalenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(naphthalen-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]-N-(2-naphthylmethyl)piperazine-1-carbothioamide Formula: C32H38N6O2S MolecularWeight: 570.74812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC5=CC=CC=C5C=C4)OCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC5=CC=CC=C5C=C4)OCCN6CCCCC6

InChI

InChI=1S/C32H38N6O2S/c1-39-29-20-27-28(21-30(29)40-18-17-36-11-5-2-6-12-36)34-23-35-31(27)37-13-15-38(16-14-37)32(41)33-22-24-9-10-25-7-3-4-8-26(25)19-24/h3-4,7-10,19-21,23H,2,5-6,11-18,22H2,1H3,(H,33,41)