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

Systemtic Name: N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25ClN4O3S/c1-3-19(28)26-11-13-27(14-12-26)20-17(23)5-4-6-18(20)24-22(31)25-21(29)15-7-9-16(30-2)10-8-15/h4-10H,3,11-14H2,1-2H3,(H2,24,25,29,31)