4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)C1

Isomeric SMILES

C[C@H]1CCC/C(=N\NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)/C1

InChI

InChI=1S/C22H24N4OS/c1-15-5-4-6-18(13-15)25-26-21(27)17-11-9-16(10-12-17)14-28-22-23-19-7-2-3-8-20(19)24-22/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,23,24)(H,26,27)/b25-18+/t15-/m0/s1