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

Systemtic Name: 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide CAS Name: 4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-N-(3-methoxypropyl)benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H25N3O4S/c1-28-15-3-14-23-21(27)17-7-9-18(10-8-17)24-22(30)25-20(26)13-6-16-4-11-19(29-2)12-5-16/h4-13H,3,14-15H2,1-2H3,(H,23,27)(H2,24,25,26,30)/b13-6+