(phenylmethyl) N,N'-bis(3-oxidanylideneindol-2-yl)carbamimidothioate

Systemtic Name: (phenylmethyl) N,N'-bis(3-oxidanylideneindol-2-yl)carbamimidothioate Openeye Name: 2-benzyl-1,3-bis(3-oxoindol-2-yl)isothiourea CAS Name: N,N'-bis(3-oxo-2-indolyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N'-bis(3-oxoindol-2-yl)carbamimidothioate Traditional Name: 2-benzyl-1,3-bis(3-ketoindol-2-yl)isothiourea Formula: C24H16N4O2S MolecularWeight: 424.47444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC2=NC3=CC=CC=C3C2=O)NC4=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=NC2=NC3=CC=CC=C3C2=O)NC4=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H16N4O2S/c29-20-16-10-4-6-12-18(16)25-22(20)27-24(31-14-15-8-2-1-3-9-15)28-23-21(30)17-11-5-7-13-19(17)26-23/h1-13H,14H2,(H,25,26,27,28,29,30)