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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CC3

InChI

InChI=1S/C21H20N4O4S/c1-13-17(22-20(27)15-9-10-15)6-3-7-18(13)23-21(30)24-19(26)11-8-14-4-2-5-16(12-14)25(28)29/h2-8,11-12,15H,9-10H2,1H3,(H,22,27)(H2,23,24,26,30)/b11-8+