(phenylmethyl) N-[5-(2-fluorophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[5-(2-fluorophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[5-(2-fluorophenyl)-2-thioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(2-fluorophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-(2-fluorophenyl)-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(2-fluorophenyl)-2-thioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C23H18FN3O2S MolecularWeight: 419.471323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(=S)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(=S)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4F

InChI

InChI=1S/C23H18FN3O2S/c24-18-12-6-4-10-16(18)20-17-11-5-7-13-19(17)25-22(30)21(26-20)27-23(28)29-14-15-8-2-1-3-9-15/h1-13,21H,14H2,(H,25,30)(H,27,28)