(E)-3-(3-nitrophenyl)-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(1-benzyl-4-piperidyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[(1-benzylpiperidin-4-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c27-21(10-9-17-7-4-8-20(15-17)26(28)29)24-22(30)23-19-11-13-25(14-12-19)16-18-5-2-1-3-6-18/h1-10,15,19H,11-14,16H2,(H2,23,24,27,30)/b10-9+