N-[2-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[2-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-5-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Traditional Name: N-[2-methyl-5-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]cyclopropanecarboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CC3

InChI

InChI=1S/C21H20N4O4S/c1-13-5-9-16(12-18(13)23-20(27)15-7-8-15)22-21(30)24-19(26)10-6-14-3-2-4-17(11-14)25(28)29/h2-6,9-12,15H,7-8H2,1H3,(H,23,27)(H2,22,24,26,30)/b10-6+