3-bromanyl-N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C24H28BrClN4O3S MolecularWeight: 567.92612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrClN4O3S/c1-4-33-20-9-8-16(14-17(20)25)22(31)28-24(34)27-19-7-5-6-18(26)21(19)29-10-12-30(13-11-29)23(32)15(2)3/h5-9,14-15H,4,10-13H2,1-3H3,(H2,27,28,31,34)