2-[[(2S)-2-phenylpentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-2-phenylpentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-phenylpentanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2S)-1-oxo-2-phenylpentyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(2S)-2-phenylpentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-phenylpentanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C20H24N2O2S/c1-2-8-14(13-9-4-3-5-10-13)19(24)22-20-17(18(21)23)15-11-6-7-12-16(15)25-20/h3-5,9-10,14H,2,6-8,11-12H2,1H3,(H2,21,23)(H,22,24)/t14-/m0/s1