4-[[N'-ethyl-N,N-bis(phenylmethyl)carbamimidoyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[N'-ethyl-N,N-bis(phenylmethyl)carbamimidoyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(N,N-dibenzyl-N'-ethyl-carbamimidoyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[[bis(phenylmethyl)amino]-ethyliminomethyl]thio]methyl]benzoic acid IUPAC Name: 4-[(N,N-dibenzyl-N'-ethylcarbamimidoyl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(N,N-dibenzyl-N'-ethyl-amidino)thio]methyl]benzoic acid Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N(CC1=CC=CC=C1)CC2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN=C(N(CC1=CC=CC=C1)CC2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H26N2O2S/c1-2-26-25(30-19-22-13-15-23(16-14-22)24(28)29)27(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16H,2,17-19H2,1H3,(H,28,29)