N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-4-keto-butyl]thiophene-2-carboxamide Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O2S2/c1-27-13-10-16(19-23-14-6-2-3-7-15(14)24-19)22-18(25)9-4-11-21-20(26)17-8-5-12-28-17/h2-3,5-8,12,16H,4,9-11,13H2,1H3,(H,21,26)(H,22,25)(H,23,24)/t16-/m0/s1