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

Systemtic Name: 3-chloranyl-N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[5-chloro-2-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C25H30Cl2N4O3S MolecularWeight: 537.5017

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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)CC(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)CC(C)C)Cl

InChI

InChI=1S/C25H30Cl2N4O3S/c1-4-34-22-8-5-17(14-19(22)27)24(33)29-25(35)28-20-15-18(26)6-7-21(20)30-9-11-31(12-10-30)23(32)13-16(2)3/h5-8,14-16H,4,9-13H2,1-3H3,(H2,28,29,33,35)