5-(4-bromophenyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-thieno[2,3-e][1,4]diazepin-2-one

Systemtic Name: 5-(4-bromophenyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-thieno[2,3-e][1,4]diazepin-2-one Openeye Name: 5-(4-bromophenyl)-1-[2-oxo-2-(1-piperidyl)ethyl]-3H-thieno[2,3-e][1,4]diazepin-2-one CAS Name: 5-(4-bromophenyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-3H-thieno[2,3-e][1,4]diazepin-2-one IUPAC Name: 5-(4-bromophenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3H-thieno[2,3-e][1,4]diazepin-2-one Traditional Name: 5-(4-bromophenyl)-1-(2-keto-2-piperidino-ethyl)-3H-thieno[2,3-e][1,4]diazepin-2-one Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=O)CN=C(C3=C2SC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=O)CN=C(C3=C2SC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O2S/c21-15-6-4-14(5-7-15)19-16-8-11-27-20(16)24(17(25)12-22-19)13-18(26)23-9-2-1-3-10-23/h4-8,11H,1-3,9-10,12-13H2