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

Systemtic Name: 2-[2-[cyclopropylcarbonyl(phenethyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[cyclopropanecarbonyl(phenethyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[[cyclopropyl(oxo)methyl]-phenethylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[cyclopropanecarbonyl(phenethyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[cyclopropanecarbonyl(phenethyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN(CCC3=CC=CC=C3)C(=O)C4CC4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN(CCC3=CC=CC=C3)C(=O)C4CC4)C(=O)N

InChI

InChI=1S/C23H27N3O3S/c24-21(28)20-17-8-4-5-9-18(17)30-22(20)25-19(27)14-26(23(29)16-10-11-16)13-12-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,24,28)(H,25,27)