N-[2-(4-butoxyphenyl)imino-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[2-(4-butoxyphenyl)imino-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[3-benzyl-2-(4-butoxyphenyl)imino-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-(4-butoxyphenyl)imino-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[3-benzyl-2-(4-butoxyphenyl)imino-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[3-benzyl-2-(4-butoxyphenyl)imino-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]acetamide Formula: C31H37N3O3S MolecularWeight: 531.70878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N=C2N(C3=CC(=C(C=C3S2)NC(=O)C)OC(CC)CC)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N=C2N(C3=CC(=C(C=C3S2)NC(=O)C)OC(CC)CC)CC4=CC=CC=C4

InChI

InChI=1S/C31H37N3O3S/c1-5-8-18-36-26-16-14-24(15-17-26)33-31-34(21-23-12-10-9-11-13-23)28-20-29(37-25(6-2)7-3)27(32-22(4)35)19-30(28)38-31/h9-17,19-20,25H,5-8,18,21H2,1-4H3,(H,32,35)