(E)-N-(3-imidazol-1-ylpropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(3-imidazol-1-ylpropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-N-(3-imidazol-1-ylpropylcarbamothioyl)-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: (E)-N-[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(3-imidazol-1-ylpropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(3-imidazol-1-ylpropylthiocarbamoyl)-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC(=S)NCCCN3C=CN=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC(=S)NCCCN3C=CN=C3

InChI

InChI=1S/C20H25N5O4S2/c26-19(23-20(30)22-8-1-10-24-11-9-21-16-24)7-4-17-2-5-18(6-3-17)31(27,28)25-12-14-29-15-13-25/h2-7,9,11,16H,1,8,10,12-15H2,(H2,22,23,26,30)/b7-4+