(E)-3-(3-nitrophenyl)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[2-(1-piperidyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[(2-piperidinophenyl)thiocarbamoyl]acrylamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c26-20(12-11-16-7-6-8-17(15-16)25(27)28)23-21(29)22-18-9-2-3-10-19(18)24-13-4-1-5-14-24/h2-3,6-12,15H,1,4-5,13-14H2,(H2,22,23,26,29)/b12-11+