4-[3-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)oxypropyl]aniline

Systemtic Name: 4-[3-(1-imidazol-1-yl-4-thiophen-2-yl-butan-2-yl)oxypropyl]aniline Openeye Name: 4-[3-[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propoxy]propyl]aniline CAS Name: 4-[3-[1-(1-imidazolyl)-4-thiophen-2-ylbutan-2-yl]oxypropyl]aniline IUPAC Name: 4-[3-(1-imidazol-1-yl-4-thiophen-2-ylbutan-2-yl)oxypropyl]aniline Traditional Name: [4-[3-[1-(imidazol-1-ylmethyl)-3-(2-thienyl)propoxy]propyl]phenyl]amine Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCC(CN2C=CN=C2)OCCCC3=CC=C(C=C3)N

Isomeric SMILES

C1=CSC(=C1)CCC(CN2C=CN=C2)OCCCC3=CC=C(C=C3)N

InChI

InChI=1S/C20H25N3OS/c21-18-7-5-17(6-8-18)3-1-13-24-19(15-23-12-11-22-16-23)9-10-20-4-2-14-25-20/h2,4-8,11-12,14,16,19H,1,3,9-10,13,15,21H2