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

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-(thian-4-ylamino)phenyl]ethanoate hydrochloride Openeye Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(tetrahydrothiopyran-4-ylamino)phenyl]acetate hydrochloride CAS Name: 2-[3-ethyl-5-(4-thianylamino)phenyl]acetic acid (4-carbamimidoylanilino) ester hydrochloride IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-(thian-4-ylamino)phenyl]acetate hydrochloride Traditional Name: 2-[3-ethyl-5-(tetrahydrothiopyran-4-ylamino)phenyl]acetic acid (4-amidinoanilino) ester hydrochloride Formula: C22H29ClN4O2S MolecularWeight: 449.00926

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S.ClH/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);1H