methyl N-[(4-hexoxyphenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(4-hexoxyphenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(4-hexoxybenzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(4-hexoxybenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(4-hexoxybenzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)OC

InChI

InChI=1S/C16H23N3O4S/c1-3-4-5-6-11-23-13-9-7-12(8-10-13)14(20)17-15(24)18-19-16(21)22-2/h7-10H,3-6,11H2,1-2H3,(H,19,21)(H2,17,18,20,24)