(E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29N3O4S2/c1-2-31-21-12-7-19(8-13-21)9-16-23(28)26-24(32)25-20-10-14-22(15-11-20)33(29,30)27-17-5-3-4-6-18-27/h7-16H,2-6,17-18H2,1H3,(H2,25,26,28,32)/b16-9+