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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-21(2,3)19(27)22-15-7-5-8-16(13-15)23-20(30)24-18(26)11-10-14-6-4-9-17(12-14)25(28)29/h4-13H,1-3H3,(H,22,27)(H2,23,24,26,30)/b11-10+