(phenylmethyl) N'-[[2-oxidanylidene-1-(phenylmethyl)indol-1-ium-3-yl]amino]carbamimidothioate

Systemtic Name: (phenylmethyl) N'-[[2-oxidanylidene-1-(phenylmethyl)indol-1-ium-3-yl]amino]carbamimidothioate Openeye Name: 2-benzyl-3-[(1-benzyl-2-oxo-indol-1-ium-3-yl)amino]isothiourea CAS Name: N'-[[2-oxo-1-(phenylmethyl)-3-indol-1-iumyl]amino]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[(1-benzyl-2-oxoindol-1-ium-3-yl)amino]carbamimidothioate Traditional Name: 2-benzyl-3-[(1-benzyl-2-keto-indol-1-ium-3-yl)amino]isothiourea Formula: C23H21N4OS+ MolecularWeight: 401.50404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3C=CC=CC3=C(C2=O)NN=C(N)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C=CC=CC3=C(C2=O)NN=C(N)SCC4=CC=CC=C4

InChI

InChI=1S/C23H20N4OS/c24-23(29-16-18-11-5-2-6-12-18)26-25-21-19-13-7-8-14-20(19)27(22(21)28)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H2,24,26,28)/p+1