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

Systemtic Name: 4-tert-butyl-N-[3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(4-hexoxybenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(4-hexoxybenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(4-hexoxybenzoyl)thiocarbamoylamino]phenyl]benzamide Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C31H37N3O3S/c1-5-6-7-8-20-37-27-18-14-23(15-19-27)29(36)34-30(38)33-26-11-9-10-25(21-26)32-28(35)22-12-16-24(17-13-22)31(2,3)4/h9-19,21H,5-8,20H2,1-4H3,(H,32,35)(H2,33,34,36,38)