1-(phenylcarbonyl)-3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one

Systemtic Name: 1-(phenylcarbonyl)-3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one Openeye Name: 1-benzoyl-3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one CAS Name: 1-benzoyl-3-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-azepanone IUPAC Name: 1-benzoyl-3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylazepan-2-one Traditional Name: 1-benzoyl-3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]azepan-2-one Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S2/c29-24(18-11-5-2-6-12-18)28-14-8-7-13-20(25(28)30)31-22-19-15-21(17-9-3-1-4-10-17)32-23(19)27-16-26-22/h1-6,9-12,15-16,20H,7-8,13-14H2