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

Systemtic Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[[(E)-3-(3-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=C2NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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