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

Systemtic Name: 2-[2-[2-methylpropanoyl(phenethyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[2-methylpropanoyl(phenethyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(2-methyl-1-oxopropyl)-phenethylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[2-methylpropanoyl(phenethyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[isobutyryl(phenethyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-15(2)23(29)26(13-12-16-8-4-3-5-9-16)14-19(27)25-22-20(21(24)28)17-10-6-7-11-18(17)30-22/h3-5,8-9,15H,6-7,10-14H2,1-2H3,(H2,24,28)(H,25,27)