N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]butyramide Formula: C17H25ClN4OS MolecularWeight: 368.9246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4OS/c1-3-6-15(23)20-17(24)19-14-8-5-7-13(18)16(14)22-11-9-21(4-2)10-12-22/h5,7-8H,3-4,6,9-12H2,1-2H3,(H2,19,20,23,24)