N-[[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-chloro-4-(4-propionylpiperazino)phenyl]thiocarbamoyl]hexanamide Formula: C20H29ClN4O2S MolecularWeight: 424.98786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC)Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC)Cl

InChI

InChI=1S/C20H29ClN4O2S/c1-3-5-6-7-18(26)23-20(28)22-15-8-9-17(16(21)14-15)24-10-12-25(13-11-24)19(27)4-2/h8-9,14H,3-7,10-13H2,1-2H3,(H2,22,23,26,28)