3-chloranyl-N-[[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-chloranyl-N-[[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[5-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C24H28Cl2N4O3S MolecularWeight: 523.47512

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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)Cl

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)Cl

InChI

InChI=1S/C24H28Cl2N4O3S/c1-4-33-21-8-5-16(13-18(21)26)22(31)28-24(34)27-19-14-17(25)6-7-20(19)29-9-11-30(12-10-29)23(32)15(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H2,27,28,31,34)