N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C28H29ClN4O2S MolecularWeight: 521.07346

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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)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN4O2S/c1-2-25(34)33-17-15-32(16-18-33)24-14-13-22(29)19-23(24)30-28(36)31-27(35)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,26H,2,15-18H2,1H3,(H2,30,31,35,36)