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

Systemtic Name: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide CAS Name: 2-methyl-N-[4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide Traditional Name: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-13(2)19(26)21-15-7-9-16(10-8-15)22-20(29)23-18(25)11-6-14-4-3-5-17(12-14)24(27)28/h3-13H,1-2H3,(H,21,26)(H2,22,23,25,29)/b11-6+