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

Systemtic Name: N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[3-chloro-4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C25H31ClN4O4S MolecularWeight: 519.05604

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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(=CC(=C3)OC)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O4S/c1-16(2)11-23(31)30-9-7-29(8-10-30)22-6-5-18(14-21(22)26)27-25(35)28-24(32)17-12-19(33-3)15-20(13-17)34-4/h5-6,12-16H,7-11H2,1-4H3,(H2,27,28,32,35)