methyl N-[6-[4-(octanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[4-(octanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[4-(octanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[[4-(1-oxooctylamino)phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[4-(octanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[[4-(caprylylamino)phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C23H28N4O3S/c1-3-4-5-6-7-8-21(28)24-16-9-11-17(12-10-16)31-18-13-14-19-20(15-18)26-22(25-19)27-23(29)30-2/h9-15H,3-8H2,1-2H3,(H,24,28)(H2,25,26,27,29)