N-butan-2-yl-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

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