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

Systemtic Name: 2-methyl-N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]propanamide CAS Name: 2-methyl-N-[4-[[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]propanamide Traditional Name: 2-methyl-N-[4-[[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]propionamide Formula: C21H21N5O5S MolecularWeight: 455.48694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5S/c1-13(2)19(28)22-16-9-7-15(8-10-16)20(29)24-25-21(32)23-18(27)11-6-14-4-3-5-17(12-14)26(30)31/h3-13H,1-2H3,(H,22,28)(H,24,29)(H2,23,25,27,32)/b11-6+