2-[3-(3-carbamimidoylphenyl)propanoyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[3-(3-carbamimidoylphenyl)propanoyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[3-(3-carbamimidoylphenyl)propanoyl]thiazole-4-carboxamide CAS Name: 2-[3-(3-carbamimidoylphenyl)-1-oxopropyl]-4-thiazolecarboxamide IUPAC Name: 2-[3-(3-carbamimidoylphenyl)propanoyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[3-(3-amidinophenyl)propanoyl]thiazole-4-carboxamide Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCC(=O)C2=NC(=CS2)C(=O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)CCC(=O)C2=NC(=CS2)C(=O)N)C(=N)N

InChI

InChI=1S/C14H14N4O2S/c15-12(16)9-3-1-2-8(6-9)4-5-11(19)14-18-10(7-21-14)13(17)20/h1-3,6-7H,4-5H2,(H3,15,16)(H2,17,20)