3-azanyl-5-(2-fluorophenyl)-1-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-(2-fluorophenyl)-1-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-(2-fluorophenyl)-1-(2-oxo-2-thiomorpholino-ethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-(2-fluorophenyl)-1-(2-oxo-2-thiomorpholin-4-ylethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-(2-fluorophenyl)-1-(2-oxo-2-thiomorpholin-4-ylethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-(2-fluorophenyl)-1-(2-keto-2-thiomorpholino-ethyl)-3H-1,4-benzodiazepin-2-one Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4F

Isomeric SMILES

C1CSCCN1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)N)C4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O2S/c22-16-7-3-1-5-14(16)19-15-6-2-4-8-17(15)26(21(28)20(23)24-19)13-18(27)25-9-11-29-12-10-25/h1-8,20H,9-13,23H2