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

Systemtic Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-(2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-(2-methoxyphenyl)acrylamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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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)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27N3O4S2/c1-30-21-9-5-4-8-18(21)10-15-22(27)25-23(31)24-19-11-13-20(14-12-19)32(28,29)26-16-6-2-3-7-17-26/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H2,24,25,27,31)/b15-10+