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

Systemtic Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]-N-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-[(2-methyl-4-thiazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C27H37N7O2S2 MolecularWeight: 555.75838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5

Isomeric SMILES

CC1=NC(=CS1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5

InChI

InChI=1S/C27H37N7O2S2/c1-20-31-21(18-38-20)17-28-27(37)34-12-10-33(11-13-34)26-22-15-24(35-2)25(16-23(22)29-19-30-26)36-14-6-9-32-7-4-3-5-8-32/h15-16,18-19H,3-14,17H2,1-2H3,(H,28,37)