N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-16(2)18-5-7-19(8-6-18)21(26)24-22(28)23-20-9-3-17(4-10-20)15-25-11-13-27-14-12-25/h3-10,16H,11-15H2,1-2H3,(H2,23,24,26,28)/p+1