4-tert-butyl-N-[3-(pentanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(pentanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(pentanoylcarbamothioylamino)phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(pentanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(valerylthiocarbamoylamino)phenyl]benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H29N3O2S/c1-5-6-10-20(27)26-22(29)25-19-9-7-8-18(15-19)24-21(28)16-11-13-17(14-12-16)23(2,3)4/h7-9,11-15H,5-6,10H2,1-4H3,(H,24,28)(H2,25,26,27,29)