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

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-pyrimidin-2-ylsulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-pyrimidin-2-ylsulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-(2-pyrimidinylthio)-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-pyrimidin-2-ylsulfanylazepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-(2-pyrimidylthio)azepan-2-one Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=CC=N2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=NC=CC=N2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O2S/c18-13-7-5-12(6-8-13)15(22)21-11-2-1-4-14(16(21)23)24-17-19-9-3-10-20-17/h3,5-10,14H,1-2,4,11H2/t14-/m0/s1