[(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(thian-4-ylamino)phenyl]ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(thian-4-ylamino)phenyl]ethanoate Openeye Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(tetrahydrothiopyran-4-ylamino)phenyl]acetate CAS Name: 2-[3-ethyl-5-(4-thianylamino)phenyl]acetic acid (4-carbamimidoylanilino) ester IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(thian-4-ylamino)phenyl]acetate Traditional Name: 2-[3-ethyl-5-(tetrahydrothiopyran-4-ylamino)phenyl]acetic acid (4-amidinoanilino) ester Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)NC3CCSCC3

Isomeric SMILES

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)NC3CCSCC3

InChI

InChI=1S/C22H28N4O2S/c1-2-15-11-16(13-20(12-15)25-18-7-9-29-10-8-18)14-21(27)28-26-19-5-3-17(4-6-19)22(23)24/h3-6,11-13,18,25-26H,2,7-10,14H2,1H3,(H3,23,24)