N-cyclohexyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide

Systemtic Name: N-cyclohexyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide Openeye Name: N-cyclohexyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide CAS Name: N-cyclohexyl-2-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]benzamide IUPAC Name: N-cyclohexyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methylamino]benzamide Traditional Name: N-cyclohexyl-2-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoyl-methyl-amino]benzamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29N3O3S/c1-28(25(32)27-23(29)17-14-18-12-15-20(31-2)16-13-18)22-11-7-6-10-21(22)24(30)26-19-8-4-3-5-9-19/h6-7,10-17,19H,3-5,8-9H2,1-2H3,(H,26,30)(H,27,29,32)/b17-14+