3,4-diethoxy-N-[N-(3-methylsulfanylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide

Systemtic Name: 3,4-diethoxy-N-[N-(3-methylsulfanylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide Openeye Name: 3,4-diethoxy-N-[N-(3-methylsulfanylphenyl)-N'-(4-pyridylmethyl)carbamimidoyl]benzamide CAS Name: 3,4-diethoxy-N-[[3-(methylthio)anilino]-(pyridin-4-ylmethylimino)methyl]benzamide IUPAC Name: 3,4-diethoxy-N-[N-(3-methylsulfanylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide Traditional Name: 3,4-diethoxy-N-[N-[3-(methylthio)phenyl]-N'-(4-pyridylmethyl)amidino]benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC(=CC=C3)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC(=CC=C3)SC)OCC

InChI

InChI=1S/C25H28N4O3S/c1-4-31-22-10-9-19(15-23(22)32-5-2)24(30)29-25(27-17-18-11-13-26-14-12-18)28-20-7-6-8-21(16-20)33-3/h6-16H,4-5,17H2,1-3H3,(H2,27,28,29,30)