[2-[[4-[4-(2-carbamimidoylsulfanylethanoylamino)phenyl]phenyl]amino]-2-oxidanylidene-ethyl] carbamimidothioate

Systemtic Name: [2-[[4-[4-(2-carbamimidoylsulfanylethanoylamino)phenyl]phenyl]amino]-2-oxidanylidene-ethyl] carbamimidothioate Openeye Name: 2-carbamimidoylsulfanyl-N-[4-[4-[(2-carbamimidoylsulfanylacetyl)amino]phenyl]phenyl]acetamide CAS Name: carbamimidothioic acid [2-[4-[4-[[2-(carbamimidoylthio)-1-oxoethyl]amino]phenyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[4-[(2-carbamimidoylsulfanylacetyl)amino]phenyl]anilino]-2-oxoethyl] carbamimidothioate Traditional Name: 2-(amidinothio)-N-[4-[4-[[2-(amidinothio)acetyl]amino]phenyl]phenyl]acetamide Formula: C18H20N6O2S2 MolecularWeight: 416.5204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)CSC(=N)N)NC(=O)CSC(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)CSC(=N)N)NC(=O)CSC(=N)N

InChI

InChI=1S/C18H20N6O2S2/c19-17(20)27-9-15(25)23-13-5-1-11(2-6-13)12-3-7-14(8-4-12)24-16(26)10-28-18(21)22/h1-8H,9-10H2,(H3,19,20)(H3,21,22)(H,23,25)(H,24,26)