3-(2-methylpropoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C23H29N3O3S/c1-17(2)16-29-21-5-3-4-19(14-21)22(27)25-23(30)24-20-8-6-18(7-9-20)15-26-10-12-28-13-11-26/h3-9,14,17H,10-13,15-16H2,1-2H3,(H2,24,25,27,30)/p+1