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

Systemtic Name: methyl N-[6-[4-(hexadecanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[4-(hexadecanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[[4-(1-oxohexadecylamino)phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[4-(hexadecanoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[(4-palmitamidophenyl)thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C31H44N4O3S MolecularWeight: 552.77106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29(36)32-24-17-19-25(20-18-24)39-26-21-22-27-28(23-26)34-30(33-27)35-31(37)38-2/h17-23H,3-16H2,1-2H3,(H,32,36)(H2,33,34,35,37)