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

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-3-24-11-13-25(14-12-24)19-9-7-18(8-10-19)22-21(27)23-20(26)17-6-4-5-16(2)15-17/h4-10,15H,3,11-14H2,1-2H3,(H2,22,23,26,27)/p+1