4-[(N-propyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(N-propyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(N-propyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[propylimino(1-pyrrolidinyl)methyl]thio]methyl]benzoic acid IUPAC Name: 4-[(N-propyl-C-pyrrolidin-1-ylcarbonimidoyl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(N-propyl-C-pyrrolidino-carbonimidoyl)thio]methyl]benzoic acid Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(N1CCCC1)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCN=C(N1CCCC1)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H22N2O2S/c1-2-9-17-16(18-10-3-4-11-18)21-12-13-5-7-14(8-6-13)15(19)20/h5-8H,2-4,9-12H2,1H3,(H,19,20)