N-butyl-N-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine

Systemtic Name: N-butyl-N-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine Openeye Name: N-butyl-N-[3-[4-(2-phenylthiazol-4-yl)phenoxy]propyl]butan-1-amine CAS Name: N-butyl-N-[3-[4-(2-phenyl-4-thiazolyl)phenoxy]propyl]-1-butanamine IUPAC Name: N-butyl-N-[3-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine Traditional Name: dibutyl-[3-[4-(2-phenylthiazol-4-yl)phenoxy]propyl]amine Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C26H34N2OS/c1-3-5-17-28(18-6-4-2)19-10-20-29-24-15-13-22(14-16-24)25-21-30-26(27-25)23-11-8-7-9-12-23/h7-9,11-16,21H,3-6,10,17-20H2,1-2H3