2-[(3-carbamimidoylphenyl)methyl]-N-[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-piperidine-2-carboxamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-piperidine-2-carboxamide Openeye Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[2-[(5-carbamimidoyl-2-thienyl)methylamino]-2-oxo-ethyl]-6-oxo-piperidine-2-carboxamide CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[2-[(5-carbamimidoyl-2-thiophenyl)methylamino]-2-oxoethyl]-6-oxo-2-piperidinecarboxamide IUPAC Name: 2-[(3-carbamimidoylphenyl)methyl]-N-[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxoethyl]-6-oxopiperidine-2-carboxamide Traditional Name: 2-(3-amidinobenzyl)-N-[2-[(5-amidino-2-thienyl)methylamino]-2-keto-ethyl]-6-keto-pipecolinamide Formula: C22H27N7O3S MolecularWeight: 469.55988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(C1)(CC2=CC=CC(=C2)C(=N)N)C(=O)NCC(=O)NCC3=CC=C(S3)C(=N)N

Isomeric SMILES

C1CC(=O)NC(C1)(CC2=CC=CC(=C2)C(=N)N)C(=O)NCC(=O)NCC3=CC=C(S3)C(=N)N

InChI

InChI=1S/C22H27N7O3S/c23-19(24)14-4-1-3-13(9-14)10-22(8-2-5-17(30)29-22)21(32)28-12-18(31)27-11-15-6-7-16(33-15)20(25)26/h1,3-4,6-7,9H,2,5,8,10-12H2,(H3,23,24)(H3,25,26)(H,27,31)(H,28,32)(H,29,30)