2-[(E)-N'-phenylazanyl-N-phenylimino-carbamimidoyl]sulfanylethyl N'-phenylazanyl-N-phenylimino-carbamimidothioate

Systemtic Name: 2-[(E)-N'-phenylazanyl-N-phenylimino-carbamimidoyl]sulfanylethyl N'-phenylazanyl-N-phenylimino-carbamimidothioate Openeye Name: 3-anilino-2-[2-[(E)-N'-anilino-N-phenylimino-carbamimidoyl]sulfanylethyl]-1-phenylimino-isothiourea CAS Name: N'-anilino-N-phenyliminocarbamimidothioic acid 2-[[(E)-phenyldiazenyl-(phenylhydrazinylidene)methyl]thio]ethyl ester IUPAC Name: 2-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]sulfanylethyl N'-anilino-N-phenyliminocarbamimidothioate Traditional Name: 3-anilino-2-[2-[[(E)-N'-anilino-N-phenylimino-amidino]thio]ethyl]-1-phenylimino-isothiourea Formula: C28H26N8S2 MolecularWeight: 538.68964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C(N=NC2=CC=CC=C2)SCCSC(=NNC3=CC=CC=C3)N=NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NN=C(N=NC2=CC=CC=C2)SCCS/C(=N/NC3=CC=CC=C3)/N=NC4=CC=CC=C4

InChI

InChI=1S/C28H26N8S2/c1-5-13-23(14-6-1)29-33-27(34-30-24-15-7-2-8-16-24)37-21-22-38-28(35-31-25-17-9-3-10-18-25)36-32-26-19-11-4-12-20-26/h1-20,29,31H,21-22H2/b33-27+,34-30?,35-28?,36-32?