4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-isopropoxyphenyl)-4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C31H42N6O3S MolecularWeight: 578.76858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5

InChI

InChI=1S/C31H42N6O3S/c1-23(2)40-25-10-8-24(9-11-25)34-31(41)37-17-15-36(16-18-37)30-26-20-28(38-3)29(21-27(26)32-22-33-30)39-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,41)