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

Systemtic Name: methyl N-[(2-azanyl-4-butoxy-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-4-butoxy-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-amino-4-butoxyanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-4-butoxyphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-amino-4-butoxy-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

InChI

InChI=1S/C13H19N3O3S/c1-3-4-7-19-9-5-6-11(10(14)8-9)15-12(20)16-13(17)18-2/h5-6,8H,3-4,7,14H2,1-2H3,(H2,15,16,17,20)