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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) N'-[[2-oxidanylidene-1-(phenylmethyl)indol-1-ium-3-yl]amino]carbamimidothioate Openeye Name: 2-[N'-[(1-benzyl-2-oxo-indol-1-ium-3-yl)amino]carbamimidoyl]sulfanyl-N-phenyl-acetamide CAS Name: N'-[[2-oxo-1-(phenylmethyl)-3-indol-1-iumyl]amino]carbamimidothioic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) N'-[(1-benzyl-2-oxoindol-1-ium-3-yl)amino]carbamimidothioate Traditional Name: 2-[[N'-[(1-benzyl-2-keto-indol-1-ium-3-yl)amino]amidino]thio]-N-phenyl-acetamide Formula: C24H22N5O2S+ MolecularWeight: 444.52878

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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)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C=CC=CC3=C(C2=O)NN=C(N)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O2S/c25-24(32-16-21(30)26-18-11-5-2-6-12-18)28-27-22-19-13-7-8-14-20(19)29(23(22)31)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H3,25,26,28,30,31)/p+1