2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26N6O2S2 MolecularWeight: 470.61084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H26N6O2S2/c1-13(19(30)25-20-17(18(23)29)15-9-5-6-10-16(15)32-20)28-21(24)26-27-22(28)31-12-11-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H2,23,29)(H2,24,26)(H,25,30)