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

Systemtic Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S2/c27-21(14-7-17-5-10-19(11-6-17)26(28)29)24-22(32)23-18-8-12-20(13-9-18)33(30,31)25-15-3-1-2-4-16-25/h5-14H,1-4,15-16H2,(H2,23,24,27,32)/b14-7+