3-(N,N'-diphenylcarbamimidoyl)sulfanylpropyl N,N'-diphenylcarbamimidothioate

Systemtic Name: 3-(N,N'-diphenylcarbamimidoyl)sulfanylpropyl N,N'-diphenylcarbamimidothioate Openeye Name: 2-[3-(N,N'-diphenylcarbamimidoyl)sulfanylpropyl]-1,3-diphenyl-isothiourea CAS Name: N,N'-diphenylcarbamimidothioic acid 3-[[anilino(phenylimino)methyl]thio]propyl ester IUPAC Name: 3-(N,N'-diphenylcarbamimidoyl)sulfanylpropyl N,N'-diphenylcarbamimidothioate Traditional Name: 2-[3-[(N,N'-diphenylamidino)thio]propyl]-1,3-diphenyl-isothiourea Formula: C29H28N4S2 MolecularWeight: 496.68942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)SCCCSC(=NC3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)SCCCSC(=NC3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C29H28N4S2/c1-5-14-24(15-6-1)30-28(31-25-16-7-2-8-17-25)34-22-13-23-35-29(32-26-18-9-3-10-19-26)33-27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2,(H,30,31)(H,32,33)