4-[3-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylpropyl]aniline

Systemtic Name: 4-[3-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylpropyl]aniline Openeye Name: 4-[3-[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]sulfanylpropyl]aniline CAS Name: 4-[3-[[1-(1-imidazolyl)-4-(4-methoxyphenyl)butan-2-yl]thio]propyl]aniline IUPAC Name: 4-[3-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylpropyl]aniline Traditional Name: [4-[3-[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]thio]propyl]phenyl]amine Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCCCC3=CC=C(C=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCCCC3=CC=C(C=C3)N

InChI

InChI=1S/C23H29N3OS/c1-27-22-11-6-20(7-12-22)8-13-23(17-26-15-14-25-18-26)28-16-2-3-19-4-9-21(24)10-5-19/h4-7,9-12,14-15,18,23H,2-3,8,13,16-17,24H2,1H3