methyl N-(3-phenylpropanoylcarbamothioylamino)carbamate

Systemtic Name: methyl N-(3-phenylpropanoylcarbamothioylamino)carbamate Openeye Name: methyl N-(3-phenylpropanoylcarbamothioylamino)carbamate CAS Name: N-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-(3-phenylpropanoylcarbamothioylamino)carbamate Traditional Name: N-(hydrocinnamoylthiocarbamoylamino)carbamic acid methyl ester Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C12H15N3O3S/c1-18-12(17)15-14-11(19)13-10(16)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,15,17)(H2,13,14,16,19)