ethyl 3-[N'-(furan-2-ylmethyl)-N,N-bis(phenylmethyl)carbamimidoyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[N'-(furan-2-ylmethyl)-N,N-bis(phenylmethyl)carbamimidoyl]sulfanylpropanoate Openeye Name: ethyl 3-[N,N-dibenzyl-N'-(2-furylmethyl)carbamimidoyl]sulfanylpropanoate CAS Name: 3-[[[bis(phenylmethyl)amino]-(2-furanylmethylimino)methyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[N,N-dibenzyl-N'-(furan-2-ylmethyl)carbamimidoyl]sulfanylpropanoate Traditional Name: 3-[[N,N-dibenzyl-N'-(2-furfuryl)amidino]thio]propionic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=NCC1=CC=CO1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCSC(=NCC1=CC=CO1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-2-29-24(28)15-17-31-25(26-18-23-14-9-16-30-23)27(19-21-10-5-3-6-11-21)20-22-12-7-4-8-13-22/h3-14,16H,2,15,17-20H2,1H3