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

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4OS/c1-4-21-9-11-22(12-10-21)16-7-5-15(6-8-16)19-18(24)20-17(23)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H2,19,20,23,24)/p+1