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

Systemtic Name: 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c27-20(11-8-15-6-9-18(10-7-15)26(29)30)25-22(32)24-17-4-1-3-16(13-17)21(28)23-14-19-5-2-12-31-19/h1,3-4,6-11,13,19H,2,5,12,14H2,(H,23,28)(H2,24,25,27,32)/b11-8+