4-[3-(cyclohexylamino)-3-oxidanylidene-propyl]sulfanylbenzoic acid

Systemtic Name: 4-[3-(cyclohexylamino)-3-oxidanylidene-propyl]sulfanylbenzoic acid Openeye Name: 4-[3-(cyclohexylamino)-3-oxo-propyl]sulfanylbenzoic acid CAS Name: 4-[[3-(cyclohexylamino)-3-oxopropyl]thio]benzoic acid IUPAC Name: 4-[3-(cyclohexylamino)-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 4-[[3-(cyclohexylamino)-3-keto-propyl]thio]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CCSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c18-15(17-13-4-2-1-3-5-13)10-11-21-14-8-6-12(7-9-14)16(19)20/h6-9,13H,1-5,10-11H2,(H,17,18)(H,19,20)