N-(4-ethoxyphenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide Openeye Name: N-(4-ethoxyphenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: 2-(isovalerylthiocarbamoylamino)-N-p-phenetyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C21H25N3O3S/c1-4-27-16-11-9-15(10-12-16)22-20(26)17-7-5-6-8-18(17)23-21(28)24-19(25)13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H2,23,24,25,28)