N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C27H29ClN4O3S MolecularWeight: 525.06216

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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(O3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H29ClN4O3S/c1-4-25(33)32-13-11-31(12-14-32)22-8-7-20(28)16-21(22)29-27(36)30-26(34)24-10-9-23(35-24)19-6-5-17(2)18(3)15-19/h5-10,15-16H,4,11-14H2,1-3H3,(H2,29,30,34,36)