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

Systemtic Name: 2-(pentanoylcarbamothioylamino)-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-(pentanoylcarbamothioylamino)benzamide CAS Name: N-(4-anilinophenyl)-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-(pentanoylcarbamothioylamino)benzamide Traditional Name: N-(4-anilinophenyl)-2-(valerylthiocarbamoylamino)benzamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S/c1-2-3-13-23(30)29-25(32)28-22-12-8-7-11-21(22)24(31)27-20-16-14-19(15-17-20)26-18-9-5-4-6-10-18/h4-12,14-17,26H,2-3,13H2,1H3,(H,27,31)(H2,28,29,30,32)