3-bromanyl-4-ethoxy-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCC(CC3)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCC(CC3)C)Br

InChI

InChI=1S/C23H26BrN3O3S/c1-3-30-20-9-8-16(14-18(20)24)21(28)26-23(31)25-19-7-5-4-6-17(19)22(29)27-12-10-15(2)11-13-27/h4-9,14-15H,3,10-13H2,1-2H3,(H2,25,26,28,31)