1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[2-oxo-2-(2-thienyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[2-keto-2-(2-thienyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)C4=CC=CS4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)C4=CC=CS4

InChI

InChI=1S/C21H16N2O2S/c24-18(19-11-6-12-26-19)14-23-17-10-5-4-9-16(17)21(22-13-20(23)25)15-7-2-1-3-8-15/h1-12H,13-14H2