N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)propanamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-(quinazolin-4-ylthio)propionamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3S2/c1-15(29-21-18-6-2-3-7-19(18)22-14-23-21)20(26)24-16-8-10-17(11-9-16)30(27,28)25-12-4-5-13-25/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,24,26)