N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-[(prop-2-enoylamino)methyl]benzamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-[(prop-2-enoylamino)methyl]benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-[(prop-2-enoylamino)methyl]benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-[(1-oxoprop-2-enylamino)methyl]benzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-[(prop-2-enoylamino)methyl]benzamide Traditional Name: 4-(acrylamidomethyl)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-3-20(27)23-14-15-8-10-16(11-9-15)22(28)26-19(12-13-29-2)21-24-17-6-4-5-7-18(17)25-21/h3-11,19H,1,12-14H2,2H3,(H,23,27)(H,24,25)(H,26,28)