N-[(2-chloranyl-6-methyl-pyridin-3-yl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-[(2-chloranyl-6-methyl-pyridin-3-yl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-[(2-chloro-6-methyl-3-pyridyl)methyl]-4-[6-methoxy-7-[2-(1-piperidyl)ethoxy]quinazolin-4-yl]piperazine-1-carbothioamide CAS Name: N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-[6-methoxy-7-[2-(1-piperidinyl)ethoxy]-4-quinazolinyl]-1-piperazinecarbothioamide IUPAC Name: N-[(2-chloro-6-methylpyridin-3-yl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-[(2-chloro-6-methyl-3-pyridyl)methyl]-4-[6-methoxy-7-(2-piperidinoethoxy)quinazolin-4-yl]piperazine-1-carbothioamide Formula: C28H36ClN7O2S MolecularWeight: 570.14914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCN5CCCCC5)Cl

Isomeric SMILES

CC1=NC(=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCN5CCCCC5)Cl

InChI

InChI=1S/C28H36ClN7O2S/c1-20-6-7-21(26(29)33-20)18-30-28(39)36-12-10-35(11-13-36)27-22-16-24(37-2)25(17-23(22)31-19-32-27)38-15-14-34-8-4-3-5-9-34/h6-7,16-17,19H,3-5,8-15,18H2,1-2H3,(H,30,39)