N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]butyramide Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CC[NH+](CC2)C

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N4OS/c1-3-4-15(21)18-16(22)17-13-5-7-14(8-6-13)20-11-9-19(2)10-12-20/h5-8H,3-4,9-12H2,1-2H3,(H2,17,18,21,22)/p+1