2-[1-azanyl-2-[N'-(thiophen-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate

Systemtic Name: 2-[1-azanyl-2-[N'-(thiophen-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate Openeye Name: [2-[1-amino-2-[N'-(2-thienylmethyl)carbamimidoyl]tetralin-2-yl]acetyl] benzoate CAS Name: benzoic acid [2-[1-amino-2-[amino(thiophen-2-ylmethylimino)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-1-oxoethyl] ester IUPAC Name: [2-[1-amino-2-[N'-(thiophen-2-ylmethyl)carbamimidoyl]-3,4-dihydro-1H-naphthalen-2-yl]acetyl] benzoate Traditional Name: benzoic acid [2-[1-amino-2-[N'-(2-thenyl)amidino]tetralin-2-yl]acetyl] ester Formula: C25H25N3O3S MolecularWeight: 447.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C2=CC=CC=C21)N)(CC(=O)OC(=O)C3=CC=CC=C3)C(=NCC4=CC=CS4)N

Isomeric SMILES

C1CC(C(C2=CC=CC=C21)N)(CC(=O)OC(=O)C3=CC=CC=C3)C(=NCC4=CC=CS4)N

InChI

InChI=1S/C25H25N3O3S/c26-22-20-11-5-4-7-17(20)12-13-25(22,24(27)28-16-19-10-6-14-32-19)15-21(29)31-23(30)18-8-2-1-3-9-18/h1-11,14,22H,12-13,15-16,26H2,(H2,27,28)