4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-[(5-methyl-2-furyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-[(5-methyl-2-furanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-[(5-methyl-2-furyl)methyl]piperazine-1-carbothioamide Formula: C28H38N6O3S MolecularWeight: 538.70472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5

Isomeric SMILES

CC1=CC=C(O1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5

InChI

InChI=1S/C28H38N6O3S/c1-21-7-8-22(37-21)19-29-28(38)34-14-12-33(13-15-34)27-23-17-25(35-2)26(18-24(23)30-20-31-27)36-16-6-11-32-9-4-3-5-10-32/h7-8,17-18,20H,3-6,9-16,19H2,1-2H3,(H,29,38)