[3-[(3-carbamimidoylsulfanylpropanoylamino)methylamino]-3-oxidanylidene-propyl] carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: [3-[(3-carbamimidoylsulfanylpropanoylamino)methylamino]-3-oxidanylidene-propyl] carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 3-carbamimidoylsulfanyl-N-[(3-carbamimidoylsulfanylpropanoylamino)methyl]propanamide; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid [3-[[[3-(carbamimidoylthio)-1-oxopropyl]amino]methylamino]-3-oxopropyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: [3-[(3-carbamimidoylsulfanylpropanoylamino)methylamino]-3-oxopropyl] carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 3-(amidinothio)-N-[[3-(amidinothio)propanoylamino]methyl]propionamide; tosylic acid Formula: C23H34N6O8S4 MolecularWeight: 650.81146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C(CSC(=N)N)C(=O)NCNC(=O)CCSC(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C(CSC(=N)N)C(=O)NCNC(=O)CCSC(=N)N

InChI

InChI=1S/C9H18N6O2S2.2C7H8O3S/c10-8(11)18-3-1-6(16)14-5-15-7(17)2-4-19-9(12)13;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-5H2,(H3,10,11)(H3,12,13)(H,14,16)(H,15,17);2*2-5H,1H3,(H,8,9,10)