(E)-N-(butan-2-ylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(butan-2-ylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-morpholinosulfonylphenyl)-N-(sec-butylcarbamothioyl)prop-2-enamide CAS Name: (E)-N-[(butan-2-ylamino)-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(butan-2-ylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)-N-(sec-butylthiocarbamoyl)acrylamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCC(C)NC(=S)NC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H25N3O4S2/c1-3-14(2)19-18(26)20-17(22)9-6-15-4-7-16(8-5-15)27(23,24)21-10-12-25-13-11-21/h4-9,14H,3,10-13H2,1-2H3,(H2,19,20,22,26)/b9-6+