methyl N-[(3-butoxyphenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(3-butoxyphenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(3-butoxybenzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3-butoxybenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(3-butoxybenzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4S/c1-3-4-8-21-11-7-5-6-10(9-11)12(18)15-13(22)16-17-14(19)20-2/h5-7,9H,3-4,8H2,1-2H3,(H,17,19)(H2,15,16,18,22)