(3S)-1-(4-chlorophenyl)carbonyl-3-quinazolin-4-ylsulfanyl-azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-quinazolin-4-ylsulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-quinazolin-4-ylsulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-(4-quinazolinylthio)-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-quinazolin-4-ylsulfanylazepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-(quinazolin-4-ylthio)azepan-2-one Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=NC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=NC=NC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O2S/c22-15-10-8-14(9-11-15)20(26)25-12-4-3-7-18(21(25)27)28-19-16-5-1-2-6-17(16)23-13-24-19/h1-2,5-6,8-11,13,18H,3-4,7,12H2/t18-/m0/s1