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

Systemtic Name: 2-[2-[cyclopropylcarbonyl-(phenylmethyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[[cyclopropyl(oxo)methyl]-(phenylmethyl)amino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4CC4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4CC4)C(=O)N

InChI

InChI=1S/C22H25N3O3S/c23-20(27)19-16-8-4-5-9-17(16)29-21(19)24-18(26)13-25(22(28)15-10-11-15)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,23,27)(H,24,26)