2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-cyclopentyl-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-cyclopentylquinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-cyclopentyl-quinazolin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C21H27N3O2S/c25-19(23-13-7-1-2-8-14-23)15-27-21-22-18-12-6-5-11-17(18)20(26)24(21)16-9-3-4-10-16/h5-6,11-12,16H,1-4,7-10,13-15H2