2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2S/c19-12-5-3-4-11(10-12)8-9-15(22)21-18-16(17(20)23)13-6-1-2-7-14(13)24-18/h3-5,10H,1-2,6-9H2,(H2,20,23)(H,21,22)