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

Systemtic Name: N-[[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-chloro-4-(4-propionylpiperazino)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c1-4-18(26)24-9-7-23(8-10-24)16-6-5-14(12-15(16)20)21-19(27)22-17(25)11-13(2)3/h5-6,12-13H,4,7-11H2,1-3H3,(H2,21,22,25,27)