N-(4-ethoxyphenyl)-2-(pentanoylcarbamothioylamino)benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(pentanoylcarbamothioylamino)benzamide Openeye Name: N-(4-ethoxyphenyl)-2-(pentanoylcarbamothioylamino)benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-(pentanoylcarbamothioylamino)benzamide Traditional Name: N-p-phenetyl-2-(valerylthiocarbamoylamino)benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C21H25N3O3S/c1-3-5-10-19(25)24-21(28)23-18-9-7-6-8-17(18)20(26)22-15-11-13-16(14-12-15)27-4-2/h6-9,11-14H,3-5,10H2,1-2H3,(H,22,26)(H2,23,24,25,28)