N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C24H29ClN4O5S MolecularWeight: 521.02886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O5S/c1-5-21(30)29-10-8-28(9-11-29)18-7-6-16(25)14-17(18)26-24(35)27-23(31)15-12-19(32-2)22(34-4)20(13-15)33-3/h6-7,12-14H,5,8-11H2,1-4H3,(H2,26,27,31,35)