(E)-N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-(2-thienyl)acrylamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H23N3O2S2/c25-19(12-11-16-8-7-15-28-16)23-21(27)22-18-10-4-3-9-17(18)20(26)24-13-5-1-2-6-14-24/h3-4,7-12,15H,1-2,5-6,13-14H2,(H2,22,23,25,27)/b12-11+