(2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-quinazolinylthio)propanamide IUPAC Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(quinazolin-4-ylthio)propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H20N4OS2/c1-13(27-20-15-8-5-6-9-17(15)23-12-24-20)19(26)25-21-16(11-22)14-7-3-2-4-10-18(14)28-21/h5-6,8-9,12-13H,2-4,7,10H2,1H3,(H,25,26)/t13-/m1/s1