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

Systemtic Name: 2-(3-methylbutanoylcarbamothioylamino)-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: N-(4-anilinophenyl)-2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: N-(4-anilinophenyl)-2-(isovalerylthiocarbamoylamino)benzamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C25H26N4O2S/c1-17(2)16-23(30)29-25(32)28-22-11-7-6-10-21(22)24(31)27-20-14-12-19(13-15-20)26-18-8-4-3-5-9-18/h3-15,17,26H,16H2,1-2H3,(H,27,31)(H2,28,29,30,32)