1-[2-[3-[2-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)-1,3-thiazol-4-yl]phenoxy]ethanoyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-[3-[2-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)-1,3-thiazol-4-yl]phenoxy]ethanoyl]piperidine-3-carboxamide Openeye Name: 1-[2-[3-[2-(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)thiazol-4-yl]phenoxy]acetyl]piperidine-3-carboxamide CAS Name: 1-[2-[3-[2-[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]-4-thiazolyl]phenoxy]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-[3-[2-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]phenoxy]acetyl]piperidine-3-carboxamide Traditional Name: 1-[2-[3-[2-[5-amidino-2-(methylthio)-3-thienyl]thiazol-4-yl]phenoxy]acetyl]nipecotamide Formula: C23H25N5O3S3 MolecularWeight: 515.6713

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)C2=NC(=CS2)C3=CC(=CC=C3)OCC(=O)N4CCCC(C4)C(=O)N

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)C2=NC(=CS2)C3=CC(=CC=C3)OCC(=O)N4CCCC(C4)C(=O)N

InChI

InChI=1S/C23H25N5O3S3/c1-32-23-16(9-18(34-23)20(24)25)22-27-17(12-33-22)13-4-2-6-15(8-13)31-11-19(29)28-7-3-5-14(10-28)21(26)30/h2,4,6,8-9,12,14H,3,5,7,10-11H2,1H3,(H3,24,25)(H2,26,30)