4-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(cyclohexylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(cyclohexylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-11(15(18)17-13-5-3-2-4-6-13)21-14-9-7-12(8-10-14)16(19)20/h7-11,13H,2-6H2,1H3,(H,17,18)(H,19,20)