(E)-3-(2-methoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O4S2/c1-28-19-7-3-2-6-16(19)8-13-20(25)23-21(29)22-17-9-11-18(12-10-17)30(26,27)24-14-4-5-15-24/h2-3,6-13H,4-5,14-15H2,1H3,(H2,22,23,25,29)/b13-8+