3-[5-[2-[(4-carbamimidoylphenyl)carbonylamino]propyl]thiophen-2-yl]butanoate hydrochloride

Systemtic Name: 3-[5-[2-[(4-carbamimidoylphenyl)carbonylamino]propyl]thiophen-2-yl]butanoate hydrochloride Openeye Name: 3-[5-[2-[(4-carbamimidoylbenzoyl)amino]propyl]-2-thienyl]butanoate hydrochloride CAS Name: 3-[5-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-2-thiophenyl]butanoate hydrochloride IUPAC Name: 3-[5-[2-[(4-carbamimidoylbenzoyl)amino]propyl]thiophen-2-yl]butanoate hydrochloride Traditional Name: 3-[5-[2-[(4-amidinobenzoyl)amino]propyl]-2-thienyl]butyrate hydrochloride Formula: C19H23ClN3O3S- MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(S1)C(C)CC(=O)[O-])NC(=O)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CC(CC1=CC=C(S1)C(C)CC(=O)[O-])NC(=O)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C19H23N3O3S.ClH/c1-11(9-17(23)24)16-8-7-15(26-16)10-12(2)22-19(25)14-5-3-13(4-6-14)18(20)21;/h3-8,11-12H,9-10H2,1-2H3,(H3,20,21)(H,22,25)(H,23,24);1H/p-1