N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H28N4OS/c1-4-25-9-11-26(12-10-25)20-7-5-19(6-8-20)23-22(28)24-21(27)18-14-16(2)13-17(3)15-18/h5-8,13-15H,4,9-12H2,1-3H3,(H2,23,24,27,28)/p+1