2-[2-oxidanylidene-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-oxidanylidene-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]sulfanylbenzoate Openeye Name: 2-[2-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]thio]benzoate IUPAC Name: 2-[2-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]thio]benzoate Formula: C18H14N3O3S2- MolecularWeight: 384.45206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H15N3O3S2/c22-15(11-25-14-9-5-4-8-13(14)17(23)24)19-18-21-20-16(26-18)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24)(H,19,21,22)/p-1