N-[2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-butylimino-3-(4-chlorobenzyl)-5-octoxy-1,3-benzothiazol-6-yl]acetamide Formula: C28H38ClN3O2S MolecularWeight: 516.13822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)N(C(=NCCCC)S2)CC3=CC=C(C=C3)Cl)NC(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)N(C(=NCCCC)S2)CC3=CC=C(C=C3)Cl)NC(=O)C

InChI

InChI=1S/C28H38ClN3O2S/c1-4-6-8-9-10-11-17-34-26-19-25-27(18-24(26)31-21(3)33)35-28(30-16-7-5-2)32(25)20-22-12-14-23(29)15-13-22/h12-15,18-19H,4-11,16-17,20H2,1-3H3,(H,31,33)