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

Systemtic Name: 2-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H19ClN4O2S2 MolecularWeight: 446.97346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CN3C4=CC(=CC=C4)Cl)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CN3C4=CC(=CC=C4)Cl)C(=O)N

InChI

InChI=1S/C20H19ClN4O2S2/c21-12-4-3-5-13(10-12)25-9-8-23-20(25)28-11-16(26)24-19-17(18(22)27)14-6-1-2-7-15(14)29-19/h3-5,8-10H,1-2,6-7,11H2,(H2,22,27)(H,24,26)