methyl N-[(2-azanyl-5-propylsulfanyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-azanyl-5-propylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-5-propylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-amino-5-(propylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-5-propylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-amino-5-(propylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C12H17N3O2S2 MolecularWeight: 299.41228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S2/c1-3-6-19-8-4-5-9(13)10(7-8)14-11(18)15-12(16)17-2/h4-5,7H,3,6,13H2,1-2H3,(H2,14,15,16,18)