methyl N-[(4-butylphenyl)carbamothioylamino]carbamate

Systemtic Name: methyl N-[(4-butylphenyl)carbamothioylamino]carbamate Openeye Name: methyl N-[(4-butylphenyl)carbamothioylamino]carbamate CAS Name: N-[[(4-butylanilino)-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(4-butylphenyl)carbamothioylamino]carbamate Traditional Name: N-[(4-butylphenyl)thiocarbamoylamino]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)NNC(=O)OC

Isomeric SMILES

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

InChI

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