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

Systemtic Name: N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[3-chloro-4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C26H33ClN4O3S MolecularWeight: 517.08322

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Cl

InChI

InChI=1S/C26H33ClN4O3S/c1-4-14-34-21-7-5-6-19(16-21)25(33)29-26(35)28-20-8-9-23(22(27)17-20)30-10-12-31(13-11-30)24(32)15-18(2)3/h5-9,16-18H,4,10-15H2,1-3H3,(H2,28,29,33,35)