N,N-dimethyl-3-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide

Systemtic Name: N,N-dimethyl-3-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide Openeye Name: N,N-dimethyl-3-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide CAS Name: N,N-dimethyl-3-[3-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N,N-dimethyl-3-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide Traditional Name: N,N-dimethyl-3-[3-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]propionamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-24(2)20(27)13-9-16-4-3-5-17(14-16)22-21(30)23-19(26)12-8-15-6-10-18(11-7-15)25(28)29/h3-8,10-12,14H,9,13H2,1-2H3,(H2,22,23,26,30)/b12-8+