N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-3-keto-propyl]-4-bromo-benzamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2S/c1-29-13-11-18(20-25-16-4-2-3-5-17(16)26-20)24-19(27)10-12-23-21(28)14-6-8-15(22)9-7-14/h2-9,18H,10-13H2,1H3,(H,23,28)(H,24,27)(H,25,26)/t18-/m0/s1