2-[2-[phenethyl(propanoyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[phenethyl(propanoyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[phenethyl(propanoyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[1-oxopropyl(phenethyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[phenethyl(propanoyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[phenethyl(propionyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC1=CC=CC=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCC(=O)N(CCC1=CC=CC=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C22H27N3O3S/c1-2-19(27)25(13-12-15-8-4-3-5-9-15)14-18(26)24-22-20(21(23)28)16-10-6-7-11-17(16)29-22/h3-5,8-9H,2,6-7,10-14H2,1H3,(H2,23,28)(H,24,26)