N-(3-methoxypropyl)-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(3-methoxypropyl)-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3-methoxypropyl)-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-methoxypropyl)-4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methoxypropyl)-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3-methoxypropyl)-4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-30-13-3-12-22-20(27)16-7-9-17(10-8-16)23-21(31)24-19(26)11-6-15-4-2-5-18(14-15)25(28)29/h2,4-11,14H,3,12-13H2,1H3,(H,22,27)(H2,23,24,26,31)/b11-6+