4-methyl-N-[(3-morpholin-4-ium-4-ylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-methyl-N-[(3-morpholin-4-ium-4-ylpropanoylamino)carbamothioyl]benzamide Openeye Name: 4-methyl-N-[(3-morpholin-4-ium-4-ylpropanoylamino)carbamothioyl]benzamide CAS Name: 4-methyl-N-[[[3-(4-morpholin-4-iumyl)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methyl-N-[(3-morpholin-4-ium-4-ylpropanoylamino)carbamothioyl]benzamide Traditional Name: 4-methyl-N-[(3-morpholin-4-ium-4-ylpropanoylamino)thiocarbamoyl]benzamide Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC[NH+]2CCOCC2

InChI

InChI=1S/C16H22N4O3S/c1-12-2-4-13(5-3-12)15(22)17-16(24)19-18-14(21)6-7-20-8-10-23-11-9-20/h2-5H,6-11H2,1H3,(H,18,21)(H2,17,19,22,24)/p+1