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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O2S/c1-13(2)11-18(26)23-20(28)22-15-5-6-17(16(21)12-15)24-7-9-25(10-8-24)19(27)14(3)4/h5-6,12-14H,7-11H2,1-4H3,(H2,22,23,26,28)