methyl N-[(2-azanyl-4-butylsulfanyl-phenyl)carbamothioyl]carbamate

Systemtic Name: methyl N-[(2-azanyl-4-butylsulfanyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-4-butylsulfanyl-phenyl)carbamothioyl]carbamate CAS Name: N-[[2-amino-4-(butylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-4-butylsulfanylphenyl)carbamothioyl]carbamate Traditional Name: N-[[2-amino-4-(butylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

InChI

InChI=1S/C13H19N3O2S2/c1-3-4-7-20-9-5-6-11(10(14)8-9)15-12(19)16-13(17)18-2/h5-6,8H,3-4,7,14H2,1-2H3,(H2,15,16,17,19)