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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-5-6-7-20(27)26-22(29)25-19-14-12-18(13-15-19)24-21(28)16-8-10-17(11-9-16)23(2,3)4/h8-15H,5-7H2,1-4H3,(H,24,28)(H2,25,26,27,29)