N-ethyl-3-(3-methylbutanoylcarbamothioylamino)-N-phenyl-benzamide

Systemtic Name: N-ethyl-3-(3-methylbutanoylcarbamothioylamino)-N-phenyl-benzamide Openeye Name: N-ethyl-3-(3-methylbutanoylcarbamothioylamino)-N-phenyl-benzamide CAS Name: N-ethyl-3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-3-(3-methylbutanoylcarbamothioylamino)-N-phenylbenzamide Traditional Name: N-ethyl-3-(isovalerylthiocarbamoylamino)-N-phenyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C21H25N3O2S/c1-4-24(18-11-6-5-7-12-18)20(26)16-9-8-10-17(14-16)22-21(27)23-19(25)13-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H2,22,23,25,27)