3-bromanyl-4-hexoxy-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C26H32BrN3O3S MolecularWeight: 546.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3)Br

InChI

InChI=1S/C26H32BrN3O3S/c1-2-3-4-10-17-33-23-14-13-19(18-21(23)27)24(31)29-26(34)28-22-12-7-6-11-20(22)25(32)30-15-8-5-9-16-30/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H2,28,29,31,34)