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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-3-4-14-23-21(27)17-6-5-7-18(15-17)24-22(29)25-20(26)13-10-16-8-11-19(28-2)12-9-16/h5-13,15H,3-4,14H2,1-2H3,(H,23,27)(H2,24,25,26,29)/b13-10+