methyl N-[[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]carbamate CAS Name: N-[[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]carbamate Traditional Name: N-[[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H20ClN4O2S+ MolecularWeight: 343.8522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O2S/c1-18-5-7-19(8-6-18)12-4-3-10(9-11(12)15)16-13(22)17-14(20)21-2/h3-4,9H,5-8H2,1-2H3,(H2,16,17,20,22)/p+1