N-[1-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]octanamide

Systemtic Name: N-[1-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]octanamide Openeye Name: N-[1-benzyl-2-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]octanamide CAS Name: N-[1-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]octanamide IUPAC Name: N-[1-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]octanamide Traditional Name: N-[1-benzyl-2-[[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]caprylamide Formula: C27H35N5O2S MolecularWeight: 493.6641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C27H35N5O2S/c1-4-5-6-7-11-14-24(33)28-23(19-20-12-9-8-10-13-20)25(34)29-27-31-30-26(35-27)21-15-17-22(18-16-21)32(2)3/h8-10,12-13,15-18,23H,4-7,11,14,19H2,1-3H3,(H,28,33)(H,29,31,34)