3-azanyl-1-(1,3-benzothiazol-2-ylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-(1,3-benzothiazol-2-ylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-(1,3-benzothiazol-2-ylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-(1,3-benzothiazol-2-ylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(1,3-benzothiazol-2-ylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-(1,3-benzothiazol-2-ylmethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Formula: C23H17FN4OS MolecularWeight: 416.470683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC3=NC4=CC=CC=C4S3)N)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(C(=O)N2CC3=NC4=CC=CC=C4S3)N)C5=CC=CC=C5F

InChI

InChI=1S/C23H17FN4OS/c24-16-9-3-1-7-14(16)21-15-8-2-5-11-18(15)28(23(29)22(25)27-21)13-20-26-17-10-4-6-12-19(17)30-20/h1-12,22H,13,25H2