(E)-but-2-enedioic acid; 1-[N'-(2-methylsulfanylethyl)carbamimidoyl]thiourea

Systemtic Name: (E)-but-2-enedioic acid; 1-[N'-(2-methylsulfanylethyl)carbamimidoyl]thiourea Openeye Name: fumaric acid; [N'-(2-methylsulfanylethyl)carbamimidoyl]thiourea CAS Name: [amino-[2-(methylthio)ethylimino]methyl]thiourea; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; [N'-(2-methylsulfanylethyl)carbamimidoyl]thiourea Traditional Name: fumaric acid; [N'-[2-(methylthio)ethyl]amidino]thiourea Formula: C9H16N4O4S2 MolecularWeight: 308.37774

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN=C(N)NC(=S)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CSCCN=C(N)NC(=S)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C5H12N4S2.C4H4O4/c1-11-3-2-8-4(6)9-5(7)10;5-3(6)1-2-4(7)8/h2-3H2,1H3,(H5,6,7,8,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1+