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

Systemtic Name: N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C26H33ClN4O4S MolecularWeight: 533.08262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClN4O4S/c1-5-34-19-14-18(15-20(16-19)35-6-2)24(32)29-26(36)28-22-9-7-8-21(27)23(22)30-10-12-31(13-11-30)25(33)17(3)4/h7-9,14-17H,5-6,10-13H2,1-4H3,(H2,28,29,32,36)