N-[2-methoxy-5-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]phenyl]sulfonyl-N'-methyl-carbamimidothioate

Systemtic Name: N-[2-methoxy-5-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]phenyl]sulfonyl-N'-methyl-carbamimidothioate Openeye Name: N-[2-methoxy-5-[2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl]phenyl]sulfonyl-N'-methyl-carbamimidothioate CAS Name: N-[2-methoxy-5-[2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl]phenyl]sulfonyl-N'-methylcarbamimidothioate IUPAC Name: N-[2-methoxy-5-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]phenyl]sulfonyl-N'-methylcarbamimidothioate Traditional Name: N-[2-methoxy-5-[2-[[(E)-3-(2-thienyl)acryloyl]amino]ethyl]phenyl]sulfonyl-N'-methyl-carbamimidothioate Formula: C18H20N3O4S3- MolecularWeight: 438.5641

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C=CC2=CC=CS2)OC)[S-]

Isomeric SMILES

CN=C(NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC=CS2)OC)[S-]

InChI

InChI=1S/C18H21N3O4S3/c1-19-18(26)21-28(23,24)16-12-13(5-7-15(16)25-2)9-10-20-17(22)8-6-14-4-3-11-27-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H2,19,21,26)/p-1/b8-6+