N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]benzamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]benzamide Formula: C29H31ClN4O3S MolecularWeight: 551.09944

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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=CC=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H31ClN4O3S/c1-2-6-27(35)34-17-15-33(16-18-34)26-14-11-23(19-25(26)30)31-29(38)32-28(36)22-9-12-24(13-10-22)37-20-21-7-4-3-5-8-21/h3-5,7-14,19H,2,6,15-18,20H2,1H3,(H2,31,32,36,38)