4-[(cyclopentylcarbamothioylamino)methyl]benzoic acid

Systemtic Name: 4-[(cyclopentylcarbamothioylamino)methyl]benzoic acid Openeye Name: 4-[(cyclopentylcarbamothioylamino)methyl]benzoic acid CAS Name: 4-[[[(cyclopentylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[(cyclopentylcarbamothioylamino)methyl]benzoic acid Traditional Name: 4-[(cyclopentylthiocarbamoylamino)methyl]benzoic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC(C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H18N2O2S/c17-13(18)11-7-5-10(6-8-11)9-15-14(19)16-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,17,18)(H2,15,16,19)