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

Systemtic Name: N-(3-methoxypropyl)-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3-methoxypropyl)-4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-methoxypropyl)-4-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methoxypropyl)-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3-methoxypropyl)-4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCOC

InChI

InChI=1S/C22H25N3O3S/c1-16-4-6-17(7-5-16)8-13-20(26)25-22(29)24-19-11-9-18(10-12-19)21(27)23-14-3-15-28-2/h4-13H,3,14-15H2,1-2H3,(H,23,27)(H2,24,25,26,29)/b13-8+