3-phenylpropyl 4-[(methoxycarbonylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(methoxycarbonylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(methoxycarbonylamino)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(methoxycarbonylhydrazo)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(methoxycarbonylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(carbomethoxyamino)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C16H21N3O5S/c1-23-16(22)19-18-15(25)17-13(20)9-10-14(21)24-11-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,19,22)(H2,17,18,20,25)