N-butyl-3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanyl-N-methyl-propanamide

Systemtic Name: N-butyl-3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanyl-N-methyl-propanamide Openeye Name: 3-[2-(4-benzyloxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-butyl-N-methyl-propanamide CAS Name: N-butyl-3-[[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]thio]-N-methylpropanamide IUPAC Name: N-butyl-3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanyl-N-methylpropanamide Traditional Name: 3-[[2-(4-benzoxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]-N-butyl-N-methyl-propionamide Formula: C30H37NO3S MolecularWeight: 491.68468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CCSC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN(C)C(=O)CCSC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C30H37NO3S/c1-4-5-20-31(2)30(32)19-21-35-29(26-13-17-27(33-3)18-14-26)22-24-11-15-28(16-12-24)34-23-25-9-7-6-8-10-25/h6-18,29H,4-5,19-23H2,1-3H3