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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C18H28ClN4OS+ MolecularWeight: 383.95912

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC(C)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC(C)C)Cl

InChI

InChI=1S/C18H27ClN4OS/c1-4-22-7-9-23(10-8-22)16-6-5-14(12-15(16)19)20-18(25)21-17(24)11-13(2)3/h5-6,12-13H,4,7-11H2,1-3H3,(H2,20,21,24,25)/p+1