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

Systemtic Name: N-[2-azanylidene-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[3-benzyl-2-imino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-imino-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[3-benzyl-2-imino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[3-benzyl-2-imino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]acetamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N(C(=N)S2)CC3=CC=CC=C3)NC(=O)C)CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N(C(=N)S2)CC3=CC=CC=C3)NC(=O)C)CC(C)(C)C

InChI

InChI=1S/C25H33N3O2S/c1-17(15-25(3,4)5)11-12-30-22-14-21-23(13-20(22)27-18(2)29)31-24(26)28(21)16-19-9-7-6-8-10-19/h6-10,13-14,17,26H,11-12,15-16H2,1-5H3,(H,27,29)