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

Systemtic Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

InChI

InChI=1S/C24H27N3O4S/c1-2-30-18-12-9-17(10-13-18)11-14-22(28)27-24(32)26-21-8-4-3-7-20(21)23(29)25-16-19-6-5-15-31-19/h3-4,7-14,19H,2,5-6,15-16H2,1H3,(H,25,29)(H2,26,27,28,32)/b14-11+