N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C24H29ClN4O4S MolecularWeight: 505.02946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)Cl

InChI

InChI=1S/C24H29ClN4O4S/c1-4-6-21(30)29-13-11-28(12-14-29)18-10-9-16(15-17(18)25)26-24(34)27-23(31)22-19(32-2)7-5-8-20(22)33-3/h5,7-10,15H,4,6,11-14H2,1-3H3,(H2,26,27,31,34)