N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-hexyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-hexyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-hexyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethyl-1-pyrrolyl)-N-hexylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-hexylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(2,5-dimethylpyrrol-1-yl)-N-hexyl-benzamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N4C(=CC=C4C)C

Isomeric SMILES

CCCCCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N4C(=CC=C4C)C

InChI

InChI=1S/C26H29N3OS/c1-4-5-6-9-18-28(26-27-23-10-7-8-11-24(23)31-26)25(30)21-14-16-22(17-15-21)29-19(2)12-13-20(29)3/h7-8,10-17H,4-6,9,18H2,1-3H3