N,N-dimethyl-2-[4-[(4-propan-2-ylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[(4-propan-2-ylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: N,N-dimethyl-2-[4-[(4-propan-2-ylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[(4-propan-2-ylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(p-cumenylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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