3-[(1-phenylbut-2-en-2-ylamino)carbamothioylamino]benzoate

Systemtic Name: 3-[(1-phenylbut-2-en-2-ylamino)carbamothioylamino]benzoate Openeye Name: 3-[(1-benzylprop-1-enylamino)carbamothioylamino]benzoate CAS Name: 3-[[(1-phenylbut-2-en-2-ylhydrazo)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(1-phenylbut-2-en-2-ylamino)carbamothioylamino]benzoate Traditional Name: 3-[(1-benzylprop-1-enylamino)thiocarbamoylamino]benzoate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CC1=CC=CC=C1)NNC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC=C(CC1=CC=CC=C1)NNC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H19N3O2S/c1-2-15(11-13-7-4-3-5-8-13)20-21-18(24)19-16-10-6-9-14(12-16)17(22)23/h2-10,12,20H,11H2,1H3,(H,22,23)(H2,19,21,24)/p-1