4-[(cyclohexylcarbamothioylamino)methyl]benzoic acid

Systemtic Name: 4-[(cyclohexylcarbamothioylamino)methyl]benzoic acid Openeye Name: 4-[(cyclohexylcarbamothioylamino)methyl]benzoic acid CAS Name: 4-[[[(cyclohexylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[(cyclohexylcarbamothioylamino)methyl]benzoic acid Traditional Name: 4-[(cyclohexylthiocarbamoylamino)methyl]benzoic acid Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H20N2O2S/c18-14(19)12-8-6-11(7-9-12)10-16-15(20)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,18,19)(H2,16,17,20)