1,3-bis(oxidanylidene)-N-(4-phenylmethoxyphenyl)isoindole-2-carbothioamide

Systemtic Name: 1,3-bis(oxidanylidene)-N-(4-phenylmethoxyphenyl)isoindole-2-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-1,3-dioxo-isoindoline-2-carbothioamide CAS Name: 1,3-dioxo-N-(4-phenylmethoxyphenyl)-2-isoindolecarbothioamide IUPAC Name: 1,3-dioxo-N-(4-phenylmethoxyphenyl)isoindole-2-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-1,3-diketo-isoindoline-2-carbothioamide Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16N2O3S/c25-20-18-8-4-5-9-19(18)21(26)24(20)22(28)23-16-10-12-17(13-11-16)27-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,28)