2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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