2-[[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxidanylidene-propanoyl]amino]benzoate

Systemtic Name: 2-[[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxidanylidene-propanoyl]amino]benzoate Openeye Name: 2-[[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-propanoyl]amino]benzoate CAS Name: 2-[[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1,3-dioxopropyl]amino]benzoate IUPAC Name: 2-[[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoyl]amino]benzoate Traditional Name: 2-[[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-keto-propanoyl]amino]benzoate Formula: C16H17N4O4S- MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-2-3-8-14-19-20-16(25-14)18-13(22)9-12(21)17-11-7-5-4-6-10(11)15(23)24/h4-7H,2-3,8-9H2,1H3,(H,17,21)(H,23,24)(H,18,20,22)/p-1