N-cyclohexyl-N-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-cyclohexyl-N-methyl-2-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-N-methyl-2-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-N-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-N-methyl-2-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C25H29N3O2S/c1-18-12-14-19(15-13-18)16-17-23(29)27-25(31)26-22-11-7-6-10-21(22)24(30)28(2)20-8-4-3-5-9-20/h6-7,10-17,20H,3-5,8-9H2,1-2H3,(H2,26,27,29,31)/b17-16+