4-[[3-[[2,6-di(propan-2-yl)phenyl]amino]-3-oxidanylidene-propyl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[3-[[2,6-di(propan-2-yl)phenyl]amino]-3-oxidanylidene-propyl]sulfanylmethyl]benzoate Openeye Name: 4-[[3-(2,6-diisopropylanilino)-3-oxo-propyl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thio]methyl]benzoate IUPAC Name: 4-[[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2,6-diisopropylanilino)-3-keto-propyl]thio]methyl]benzoate Formula: C23H28NO3S- MolecularWeight: 398.53832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCSCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCSCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C23H29NO3S/c1-15(2)19-6-5-7-20(16(3)4)22(19)24-21(25)12-13-28-14-17-8-10-18(11-9-17)23(26)27/h5-11,15-16H,12-14H2,1-4H3,(H,24,25)(H,26,27)/p-1