methyl [(2-azanyl-5-propylsulfanyl-phenyl)carbamoylamino]sulfanylmethanoate

Systemtic Name: methyl [(2-azanyl-5-propylsulfanyl-phenyl)carbamoylamino]sulfanylmethanoate Openeye Name: methyl [(2-amino-5-propylsulfanyl-phenyl)carbamoylamino]sulfanylformate CAS Name: [[[[2-amino-5-(propylthio)anilino]-oxomethyl]amino]thio]formic acid methyl ester IUPAC Name: methyl [(2-amino-5-propylsulfanylphenyl)carbamoylamino]sulfanylformate Traditional Name: [[[2-amino-5-(propylthio)phenyl]carbamoylamino]thio]formic acid methyl ester Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)N)NC(=O)NSC(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)N)NC(=O)NSC(=O)OC

InChI

InChI=1S/C12H17N3O3S2/c1-3-6-19-8-4-5-9(13)10(7-8)14-11(16)15-20-12(17)18-2/h4-5,7H,3,6,13H2,1-2H3,(H2,14,15,16)