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

Systemtic Name: 5-bromanyl-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C23H26BrClN4O3S MolecularWeight: 553.89954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC)Cl

InChI

InChI=1S/C23H26BrClN4O3S/c1-14(2)22(31)29-10-8-28(9-11-29)19-6-5-16(13-18(19)25)26-23(33)27-21(30)17-12-15(24)4-7-20(17)32-3/h4-7,12-14H,8-11H2,1-3H3,(H2,26,27,30,33)