N-cyclohexyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-N-methyl-benzamide

Systemtic Name: N-cyclohexyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-N-methyl-benzamide Openeye Name: N-cyclohexyl-2-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-N-methyl-benzamide CAS Name: N-cyclohexyl-2-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-methylbenzamide IUPAC Name: N-cyclohexyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-N-methylbenzamide Traditional Name: N-cyclohexyl-2-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-N-methyl-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

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