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

Systemtic Name: N-[2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-(3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)acetamide CAS Name: N-[2-butylimino-5-octoxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-(3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)acetamide Traditional Name: N-(3-benzyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)acetamide Formula: C28H39N3O2S MolecularWeight: 481.69316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2S/c1-4-6-8-9-10-14-18-33-26-20-25-27(19-24(26)30-22(3)32)34-28(29-17-7-5-2)31(25)21-23-15-12-11-13-16-23/h11-13,15-16,19-20H,4-10,14,17-18,21H2,1-3H3,(H,30,32)