N-[[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide CAS Name: N-[[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Traditional Name: N-[[5-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]butyramide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c1-4-5-17(25)22-19(27)21-15-12-14(20)6-7-16(15)23-8-10-24(11-9-23)18(26)13(2)3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H2,21,22,25,27)