(E)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c25-20(11-8-17-4-2-1-3-5-17)23-21(27)22-19-9-6-18(7-10-19)16-24-12-14-26-15-13-24/h1-11H,12-16H2,(H2,22,23,25,27)/p+1/b11-8+