2-[4-[2-(2-aminophenyl)ethanoyl]-4-azanyl-5-oxidanylidene-6-thiophen-3-yl-hexyl]guanidine hydrochloride

Systemtic Name: 2-[4-[2-(2-aminophenyl)ethanoyl]-4-azanyl-5-oxidanylidene-6-thiophen-3-yl-hexyl]guanidine hydrochloride Openeye Name: 2-[4-amino-4-[2-(2-aminophenyl)acetyl]-5-oxo-6-(3-thienyl)hexyl]guanidine hydrochloride CAS Name: 2-[4-amino-4-[2-(2-aminophenyl)-1-oxoethyl]-5-oxo-6-(3-thiophenyl)hexyl]guanidine hydrochloride IUPAC Name: 2-[4-amino-4-[2-(2-aminophenyl)acetyl]-5-oxo-6-thiophen-3-ylhexyl]guanidine hydrochloride Traditional Name: 2-[4-amino-4-[2-(2-aminophenyl)acetyl]-5-keto-6-(3-thienyl)hexyl]guanidine hydrochloride Formula: C19H26ClN5O2S MolecularWeight: 423.96004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)C(CCCN=C(N)N)(C(=O)CC2=CSC=C2)N)N.Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)C(CCCN=C(N)N)(C(=O)CC2=CSC=C2)N)N.Cl

InChI

InChI=1S/C19H25N5O2S.ClH/c20-15-5-2-1-4-14(15)11-17(26)19(23,7-3-8-24-18(21)22)16(25)10-13-6-9-27-12-13;/h1-2,4-6,9,12H,3,7-8,10-11,20,23H2,(H4,21,22,24);1H