3-[[(4-propan-2-ylphenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[(4-propan-2-ylphenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: 3-[[(4-isopropylphenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(4-propan-2-ylphenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(4-isopropylbenzylidene)amino]thiocarbamoylamino]benzoate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

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