S-phenoxy 1-azanyl-2-(phenylmethyl)-3H-isoindole-1-carbothioate

Systemtic Name: S-phenoxy 1-azanyl-2-(phenylmethyl)-3H-isoindole-1-carbothioate Openeye Name: S-phenoxy 1-amino-2-benzyl-isoindoline-1-carbothioate CAS Name: 1-amino-2-(phenylmethyl)-3H-isoindole-1-carbothioic acid S-phenoxy ester IUPAC Name: S-phenoxy 1-amino-2-benzyl-3H-isoindole-1-carbothioate Traditional Name: 1-amino-2-benzyl-isoindoline-1-carbothioic acid S-phenoxy ester Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(N1CC3=CC=CC=C3)(C(=O)SOC4=CC=CC=C4)N

Isomeric SMILES

C1C2=CC=CC=C2C(N1CC3=CC=CC=C3)(C(=O)SOC4=CC=CC=C4)N

InChI

InChI=1S/C22H20N2O2S/c23-22(21(25)27-26-19-12-5-2-6-13-19)20-14-8-7-11-18(20)16-24(22)15-17-9-3-1-4-10-17/h1-14H,15-16,23H2