N-[(2Z)-2-(butylcarbamoylimino)-3-[(4-methylphenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[(2Z)-2-(butylcarbamoylimino)-3-[(4-methylphenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[(2Z)-2-(butylcarbamoylimino)-5-octoxy-3-(p-tolylmethyl)-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[(2Z)-2-[butylamino(oxo)methyl]imino-3-[(4-methylphenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[(2Z)-2-(butylcarbamoylimino)-3-[(4-methylphenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[(2Z)-2-(butylcarbamoylimino)-3-(4-methylbenzyl)-5-octoxy-1,3-benzothiazol-6-yl]acetamide Formula: C30H42N4O3S MolecularWeight: 538.74448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O3S/c1-5-7-9-10-11-12-18-37-27-20-26-28(19-25(27)32-23(4)35)38-30(33-29(36)31-17-8-6-2)34(26)21-24-15-13-22(3)14-16-24/h13-16,19-20H,5-12,17-18,21H2,1-4H3,(H,31,36)(H,32,35)/b33-30-