3-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylpropanoate

Systemtic Name: 3-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylpropanoate Openeye Name: 3-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanylpropanoate CAS Name: 3-[[[cyclohexyl(methyl)amino]-phenyliminomethyl]thio]propanoate IUPAC Name: 3-(N-cyclohexyl-N-methyl-N'-phenylcarbamimidoyl)sulfanylpropanoate Traditional Name: 3-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]propionate Formula: C17H23N2O2S- MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCCC(=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCCC(=O)[O-]

InChI

InChI=1S/C17H24N2O2S/c1-19(15-10-6-3-7-11-15)17(22-13-12-16(20)21)18-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,20,21)/p-1