(2S)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2S)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2S)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2S)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2S)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2S)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-(4-piperidinophenyl)propionamide Formula: C28H29N5O2S MolecularWeight: 499.62716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)N5CCCCC5

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C28H29N5O2S/c1-19-14-15-29-25(18-19)33-27(35)23-8-4-5-9-24(23)31-28(33)36-20(2)26(34)30-21-10-12-22(13-11-21)32-16-6-3-7-17-32/h4-5,8-15,18,20H,3,6-7,16-17H2,1-2H3,(H,30,34)/t20-/m0/s1