3-[bis[2-[(phenylmethyl)carbamothioylamino]ethyl]carbamothioylsulfanyl]propane-1-sulfonic acid

Systemtic Name: 3-[bis[2-[(phenylmethyl)carbamothioylamino]ethyl]carbamothioylsulfanyl]propane-1-sulfonic acid Openeye Name: 3-[bis[2-(benzylcarbamothioylamino)ethyl]carbamothioylsulfanyl]propane-1-sulfonic acid CAS Name: 3-[[[bis[2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]amino]-sulfanylidenemethyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[bis[2-(benzylcarbamothioylamino)ethyl]carbamothioylsulfanyl]propane-1-sulfonic acid Traditional Name: 3-[bis[2-(benzylthiocarbamoylamino)ethyl]thiocarbamoylthio]propane-1-sulfonic acid Formula: C24H33N5O3S5 MolecularWeight: 599.87552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NCCN(CCNC(=S)NCC2=CC=CC=C2)C(=S)SCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NCCN(CCNC(=S)NCC2=CC=CC=C2)C(=S)SCCCS(=O)(=O)O

InChI

InChI=1S/C24H33N5O3S5/c30-37(31,32)17-7-16-36-24(35)29(14-12-25-22(33)27-18-20-8-3-1-4-9-20)15-13-26-23(34)28-19-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H2,25,27,33)(H2,26,28,34)(H,30,31,32)