N-(3-methoxypropyl)-4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-(3-methoxypropyl)-4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: N-(3-methoxypropyl)-4-[[2-(o-tolyl)acetyl]carbamothioylamino]benzamide CAS Name: N-(3-methoxypropyl)-4-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methoxypropyl)-4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide Traditional Name: N-(3-methoxypropyl)-4-[[2-(o-tolyl)acetyl]thiocarbamoylamino]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCOC

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCOC

InChI

InChI=1S/C21H25N3O3S/c1-15-6-3-4-7-17(15)14-19(25)24-21(28)23-18-10-8-16(9-11-18)20(26)22-12-5-13-27-2/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,26)(H2,23,24,25,28)