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

Systemtic Name: methyl N-[(2-azanyl-4-butyl-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(2-amino-4-butyl-phenyl)carbamothioyl]carbamate CAS Name: N-[(2-amino-4-butylanilino)-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2-amino-4-butylphenyl)carbamothioyl]carbamate Traditional Name: N-[(2-amino-4-butyl-phenyl)thiocarbamoyl]carbamic acid methyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N

InChI

InChI=1S/C13H19N3O2S/c1-3-4-5-9-6-7-11(10(14)8-9)15-12(19)16-13(17)18-2/h6-8H,3-5,14H2,1-2H3,(H2,15,16,17,19)