phenyl N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-heptyl-carbamate

Systemtic Name: phenyl N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-heptyl-carbamate Openeye Name: phenyl N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-heptyl-carbamate CAS Name: N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]thio]pentyl]-N-heptylcarbamic acid phenyl ester IUPAC Name: phenyl N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-N-heptylcarbamate Traditional Name: N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]thio]pentyl]-N-heptyl-carbamic acid phenyl ester Formula: C38H51N5O2S MolecularWeight: 641.90884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC(=C(N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC(=C(N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C38H51N5O2S/c1-6-7-8-9-14-27-43(38(44)45-34-17-12-10-13-18-34)28-15-11-16-29-46-37-39-35(30-19-23-32(24-20-30)41(2)3)36(40-37)31-21-25-33(26-22-31)42(4)5/h10,12-13,17-26H,6-9,11,14-16,27-29H2,1-5H3,(H,39,40)