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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C22H25N3O3S/c1-3-4-15-23-21(27)17-9-12-18(13-10-17)24-22(29)25-20(26)14-11-16-7-5-6-8-19(16)28-2/h5-14H,3-4,15H2,1-2H3,(H,23,27)(H2,24,25,26,29)/b14-11+