3-[[(E)-1-phenylbutylideneamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[(E)-1-phenylbutylideneamino]carbamothioylamino]benzoate Openeye Name: 3-[[(E)-1-phenylbutylideneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2E)-2-(1-phenylbutylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(E)-1-phenylbutylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(E)-1-phenylbutylideneamino]thiocarbamoylamino]benzoate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=S)NC1=CC=CC(=C1)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCC/C(=N\NC(=S)NC1=CC=CC(=C1)C(=O)[O-])/C2=CC=CC=C2

InChI

InChI=1S/C18H19N3O2S/c1-2-7-16(13-8-4-3-5-9-13)20-21-18(24)19-15-11-6-10-14(12-15)17(22)23/h3-6,8-12H,2,7H2,1H3,(H,22,23)(H2,19,21,24)/p-1/b20-16+