4-tert-butyl-N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-chloro-4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C27H35ClN4O2S MolecularWeight: 515.1104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35ClN4O2S/c1-18(2)16-24(33)32-14-12-31(13-15-32)23-11-10-21(17-22(23)28)29-26(35)30-25(34)19-6-8-20(9-7-19)27(3,4)5/h6-11,17-18H,12-16H2,1-5H3,(H2,29,30,34,35)