5-(methylsulfanylmethyl)-N-[N'-(naphthalen-2-ylmethyl)carbamimidoyl]-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: 5-(methylsulfanylmethyl)-N-[N'-(naphthalen-2-ylmethyl)carbamimidoyl]-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: 5-(methylsulfanylmethyl)-N-[N'-(2-naphthylmethyl)carbamimidoyl]-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[amino(2-naphthalenylmethylimino)methyl]-5-[(methylthio)methyl]-3-phenyl-4-isoxazolecarboxamide IUPAC Name: 5-(methylsulfanylmethyl)-N-[N'-(naphthalen-2-ylmethyl)carbamimidoyl]-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: 5-[(methylthio)methyl]-N-[N'-(2-naphthylmethyl)amidino]-3-phenyl-isoxazole-4-carboxamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=NCC3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

CSCC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=NCC3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C24H22N4O2S/c1-31-15-20-21(22(28-30-20)18-8-3-2-4-9-18)23(29)27-24(25)26-14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13H,14-15H2,1H3,(H3,25,26,27,29)