N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C27H32N4O4S2 MolecularWeight: 540.69738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C27H32N4O4S2/c32-25(28-20-10-9-13-22(18-20)37(34,35)30-16-7-1-2-8-17-30)19-36-27-29-24-15-6-5-14-23(24)26(33)31(27)21-11-3-4-12-21/h5-6,9-10,13-15,18,21H,1-4,7-8,11-12,16-17,19H2,(H,28,32)