methyl N-[1-hexadecanoyl-5-[4-(hexadecanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[1-hexadecanoyl-5-[4-(hexadecanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[1-hexadecanoyl-5-[4-(hexadecanoylamino)phenyl]sulfanyl-benzimidazol-2-yl]carbamate CAS Name: N-[1-(1-oxohexadecyl)-5-[[4-(1-oxohexadecylamino)phenyl]thio]-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-hexadecanoyl-5-[4-(hexadecanoylamino)phenyl]sulfanylbenzimidazol-2-yl]carbamate Traditional Name: N-[1-hexadecanoyl-5-[(4-palmitamidophenyl)thio]benzimidazol-2-yl]carbamic acid methyl ester Formula: C47H74N4O4S MolecularWeight: 791.17986

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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)C(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C47H74N4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-44(52)48-39-32-34-40(35-33-39)56-41-36-37-43-42(38-41)49-46(50-47(54)55-3)51(43)45(53)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-38H,4-31H2,1-3H3,(H,48,52)(H,49,50,54)