3-bromanyl-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C22H25BrN4O3S MolecularWeight: 505.4279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)Br

InChI

InChI=1S/C22H25BrN4O3S/c1-3-30-20-9-4-16(14-19(20)23)21(29)25-22(31)24-17-5-7-18(8-6-17)27-12-10-26(11-13-27)15(2)28/h4-9,14H,3,10-13H2,1-2H3,(H2,24,25,29,31)