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

Systemtic Name: N-[2-phenylimino-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[3-benzyl-2-phenylimino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-phenylimino-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[3-benzyl-2-phenylimino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[3-benzyl-2-phenylimino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide Formula: C31H37N3O2S MolecularWeight: 515.70938

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N(C(=NC3=CC=CC=C3)S2)CC4=CC=CC=C4)NC(=O)C)CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N(C(=NC3=CC=CC=C3)S2)CC4=CC=CC=C4)NC(=O)C)CC(C)(C)C

InChI

InChI=1S/C31H37N3O2S/c1-22(20-31(3,4)5)16-17-36-28-19-27-29(18-26(28)32-23(2)35)37-30(33-25-14-10-7-11-15-25)34(27)21-24-12-8-6-9-13-24/h6-15,18-19,22H,16-17,20-21H2,1-5H3,(H,32,35)