N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide CAS Name: N-[[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Traditional Name: N-[[5-chloro-2-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]butyramide Formula: C20H29ClN4O2S MolecularWeight: 424.98786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O2S/c1-4-5-18(26)23-20(28)22-16-13-15(21)6-7-17(16)24-8-10-25(11-9-24)19(27)12-14(2)3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H2,22,23,26,28)